 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer13_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer13_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-21104.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     21105.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=12_L-valine_conformer13_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer13_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.440615000000      0.153795000000     -0.669675000000
  C                                                 1.139680000000     -0.482678000000     -0.185187000000
  C                                                -0.064388000000      0.433960000000     -0.468576000000
  C                                                -1.393633000000     -0.311348000000     -0.237189000000
  O                                                -2.341078000000      0.435941000000      0.339139000000
  C                                                 1.225474000000     -0.882175000000      1.288520000000
  N                                                -0.086110000000      1.714563000000      0.252336000000
  O                                                -1.573078000000     -1.451319000000     -0.570526000000
  H                                                -0.064405000000      0.666302000000     -1.537552000000
  H                                                 0.955080000000     -1.389343000000     -0.764288000000
  H                                                -1.913463000000      1.308566000000      0.499915000000
  H                                                 0.364571000000      1.641581000000      1.156509000000
  H                                                 0.373024000000      2.450485000000     -0.265418000000
  H                                                 0.304091000000     -1.355802000000      1.629384000000
  H                                                 2.039602000000     -1.591968000000      1.440373000000
  H                                                 1.432706000000     -0.023887000000      1.934977000000
  H                                                 2.391139000000      0.402937000000     -1.732114000000
  H                                                 2.666906000000      1.070641000000     -0.118883000000
  H                                                 3.280277000000     -0.527749000000     -0.525512000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.527173   0.000000
     3  C    2.528631   1.539583   0.000000
     4  C    3.886497   2.539632   1.541401   0.000000
     5  O    4.895089   3.637919   2.415724   1.337253   0.000000
     6  C    2.526723   1.529304   2.546241   3.084372   3.919062
     7  N    3.109733   2.553792   1.469738   2.460400   2.593702
     8  O    4.323882   2.906167   2.416778   1.201186   2.231382
     9  H    2.700185   2.144497   1.093934   2.100855   2.959438
    10  H    2.144071   1.091548   2.109785   2.637491   3.926050
    11  H    4.653969   3.605496   2.263181   1.854095   0.984976
    12  H    3.139811   2.629338   2.069603   2.974493   3.072816
    13  H    3.116591   3.032762   2.073397   3.278658   3.433690
    14  H    3.482713   2.180189   2.782168   2.730796   3.445576
    15  H    2.767815   2.163985   3.489304   4.030050   4.951312
    16  H    2.798511   2.188938   2.868446   3.576189   4.123055
    17  H    1.092381   2.177946   2.761721   4.131525   5.165758
    18  H    1.093246   2.179361   2.826237   4.290905   5.068780
    19  H    1.091017   2.167950   3.480648   4.687792   5.768531
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.088200   0.000000
     8  O    3.407619   3.593186   0.000000
     9  H    3.471059   2.074373   2.774086   0.000000
    10  H    2.131749   3.428095   2.536330   2.421356   0.000000
    11  H    3.908218   1.888213   2.979710   2.825383   4.135875
    12  H    2.669817   1.012901   4.037718   2.897094   3.636573
    13  H    3.774655   1.010175   4.370867   2.234497   3.915602
    14  H    1.090622   3.387574   2.893526   3.775471   2.480842
    15  H    1.090720   4.106486   4.137022   4.288900   2.465314
    16  H    1.094308   2.856622   4.165314   3.843977   3.062455
    17  H    3.483463   3.434409   4.527976   2.477279   2.492232
    18  H    2.805708   2.851585   4.953961   3.104218   3.065684
    19  H    2.763792   4.118929   4.940654   3.692815   2.491164
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.394045   0.000000
    13  H    2.667909   1.635932   0.000000
    14  H    3.645834   3.035057   4.252393   0.000000
    15  H    4.992422   3.652690   4.693467   1.761675   0.000000
    16  H    3.877071   2.126196   3.476662   1.772331   1.752665
    17  H    4.932719   3.739700   3.227451   4.329965   3.764027
    18  H    4.628099   2.693203   2.680921   3.811425   3.148694
    19  H    5.603435   4.004563   4.170090   3.766554   2.556666
                   16         17         18         19
    16  H    0.000000
    17  H    3.814227   0.000000
    18  H    2.634309   1.767595   0.000000
    19  H    3.117916   1.764265   1.759665   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.440615    0.153795   -0.669675
      2          6           0        1.139680   -0.482678   -0.185187
      3          6           0       -0.064388    0.433960   -0.468576
      4          6           0       -1.393633   -0.311348   -0.237189
      5          8           0       -2.341078    0.435941    0.339139
      6          6           0        1.225474   -0.882175    1.288520
      7          7           0       -0.086110    1.714563    0.252336
      8          8           0       -1.573078   -1.451319   -0.570526
      9          1           0       -0.064405    0.666302   -1.537552
     10          1           0        0.955080   -1.389343   -0.764288
     11          1           0       -1.913463    1.308566    0.499915
     12          1           0        0.364571    1.641581    1.156509
     13          1           0        0.373024    2.450485   -0.265418
     14          1           0        0.304091   -1.355802    1.629384
     15          1           0        2.039602   -1.591968    1.440373
     16          1           0        1.432706   -0.023887    1.934977
     17          1           0        2.391139    0.402937   -1.732114
     18          1           0        2.666906    1.070641   -0.118883
     19          1           0        3.280277   -0.527749   -0.525512
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.0457750           1.4734547           1.2560050
 Leave Link  202 at Fri Aug 13 11:07:38 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       408.5379247680 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0124433717 Hartrees.
 Nuclear repulsion after empirical dispersion term =      408.5254813963 Hartrees.
 Leave Link  301 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:              13.9 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  7.76D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 11:07:41 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:42 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer13_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:44 2021, MaxMem=  5637144576 cpu:               9.9 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.310961154847    
 DIIS: error= 1.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.310961154847     IErMin= 1 ErrMin= 1.77D-03
 ErrMax= 1.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-03 BMatP= 5.62D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.411 Goal=   None    Shift=    0.000
 GapD=    0.411 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.64D-03 MaxDP=7.79D-01              OVMax= 1.21D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.54D-03    CP:  1.05D+00
 E= -402.315689879697     Delta-E=       -0.004728724850 Rises=F Damp=F
 DIIS: error= 2.89D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.315689879697     IErMin= 2 ErrMin= 2.89D-04
 ErrMax= 2.89D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-04 BMatP= 5.62D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.89D-03
 Coeff-Com: -0.441D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.440D-01 0.104D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=1.25D-03 MaxDP=1.15D-01 DE=-4.73D-03 OVMax= 4.34D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.22D-04    CP:  1.06D+00  1.13D+00
 E= -402.315800632742     Delta-E=       -0.000110753045 Rises=F Damp=F
 DIIS: error= 3.40D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.315800632742     IErMin= 2 ErrMin= 2.89D-04
 ErrMax= 3.40D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-04 BMatP= 1.24D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.40D-03
 Coeff-Com: -0.437D-01 0.525D+00 0.519D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.435D-01 0.523D+00 0.521D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=6.33D-03 DE=-1.11D-04 OVMax= 1.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.62D-05    CP:  1.06D+00  1.14D+00  1.10D+00
 E= -402.315876155418     Delta-E=       -0.000075522676 Rises=F Damp=F
 DIIS: error= 6.23D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.315876155418     IErMin= 4 ErrMin= 6.23D-05
 ErrMax= 6.23D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-06 BMatP= 1.09D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.342D-02-0.132D-01 0.948D-01 0.922D+00
 Coeff:     -0.342D-02-0.132D-01 0.948D-01 0.922D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=8.13D-05 MaxDP=4.99D-03 DE=-7.55D-05 OVMax= 6.54D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.40D-05    CP:  1.06D+00  1.15D+00  1.22D+00  1.28D+00
 E= -402.315879096027     Delta-E=       -0.000002940609 Rises=F Damp=F
 DIIS: error= 3.31D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.315879096027     IErMin= 5 ErrMin= 3.31D-05
 ErrMax= 3.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.08D-07 BMatP= 2.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.250D-02-0.543D-01-0.816D-02 0.419D+00 0.641D+00
 Coeff:      0.250D-02-0.543D-01-0.816D-02 0.419D+00 0.641D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.86D-05 MaxDP=1.37D-03 DE=-2.94D-06 OVMax= 2.95D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.01D-05    CP:  1.06D+00  1.15D+00  1.25D+00  1.39D+00  1.14D+00
 E= -402.315879734805     Delta-E=       -0.000000638778 Rises=F Damp=F
 DIIS: error= 9.21D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.315879734805     IErMin= 6 ErrMin= 9.21D-06
 ErrMax= 9.21D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.40D-08 BMatP= 7.08D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-02-0.241D-01-0.117D-01 0.115D+00 0.295D+00 0.624D+00
 Coeff:      0.148D-02-0.241D-01-0.117D-01 0.115D+00 0.295D+00 0.624D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=4.84D-06 MaxDP=4.03D-04 DE=-6.39D-07 OVMax= 8.24D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.30D-06    CP:  1.06D+00  1.15D+00  1.25D+00  1.42D+00  1.20D+00
                    CP:  1.16D+00
 E= -402.315879795578     Delta-E=       -0.000000060773 Rises=F Damp=F
 DIIS: error= 3.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.315879795578     IErMin= 7 ErrMin= 3.07D-06
 ErrMax= 3.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.81D-09 BMatP= 7.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.110D-03 0.420D-03-0.230D-02-0.290D-01-0.882D-03 0.241D+00
 Coeff-Com:  0.791D+00
 Coeff:      0.110D-03 0.420D-03-0.230D-02-0.290D-01-0.882D-03 0.241D+00
 Coeff:      0.791D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.47D-06 MaxDP=1.79D-04 DE=-6.08D-08 OVMax= 4.45D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.18D-06    CP:  1.06D+00  1.15D+00  1.25D+00  1.43D+00  1.24D+00
                    CP:  1.24D+00  1.32D+00
 E= -402.315879805191     Delta-E=       -0.000000009613 Rises=F Damp=F
 DIIS: error= 6.30D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.315879805191     IErMin= 8 ErrMin= 6.30D-07
 ErrMax= 6.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-10 BMatP= 7.81D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.904D-04 0.207D-02 0.467D-03-0.174D-01-0.263D-01-0.480D-02
 Coeff-Com:  0.203D+00 0.843D+00
 Coeff:     -0.904D-04 0.207D-02 0.467D-03-0.174D-01-0.263D-01-0.480D-02
 Coeff:      0.203D+00 0.843D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=6.66D-07 MaxDP=3.80D-05 DE=-9.61D-09 OVMax= 1.35D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.90D-07    CP:  1.06D+00  1.15D+00  1.25D+00  1.43D+00  1.24D+00
                    CP:  1.26D+00  1.43D+00  1.17D+00
 E= -402.315879805958     Delta-E=       -0.000000000766 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.315879805958     IErMin= 9 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.46D-11 BMatP= 4.82D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.344D-04 0.573D-03 0.333D-03-0.267D-02-0.731D-02-0.241D-01
 Coeff-Com: -0.686D-03 0.243D+00 0.791D+00
 Coeff:     -0.344D-04 0.573D-03 0.333D-03-0.267D-02-0.731D-02-0.241D-01
 Coeff:     -0.686D-03 0.243D+00 0.791D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=1.45D-07 MaxDP=8.67D-06 DE=-7.66D-10 OVMax= 4.55D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.41D-08    CP:  1.06D+00  1.15D+00  1.25D+00  1.43D+00  1.24D+00
                    CP:  1.26D+00  1.45D+00  1.22D+00  1.08D+00
 E= -402.315879806031     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 7.20D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.315879806031     IErMin=10 ErrMin= 7.20D-08
 ErrMax= 7.20D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.18D-12 BMatP= 4.46D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-05-0.973D-04 0.304D-04 0.149D-02 0.153D-02-0.646D-02
 Coeff-Com: -0.232D-01-0.437D-01 0.190D+00 0.880D+00
 Coeff:      0.124D-05-0.973D-04 0.304D-04 0.149D-02 0.153D-02-0.646D-02
 Coeff:     -0.232D-01-0.437D-01 0.190D+00 0.880D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=6.62D-08 MaxDP=4.50D-06 DE=-7.33D-11 OVMax= 2.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.88D-08    CP:  1.06D+00  1.15D+00  1.25D+00  1.43D+00  1.24D+00
                    CP:  1.26D+00  1.45D+00  1.22D+00  1.15D+00  1.25D+00
 E= -402.315879806006     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 2.22D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -402.315879806031     IErMin=11 ErrMin= 2.22D-08
 ErrMax= 2.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.22D-13 BMatP= 5.18D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.508D-05-0.110D-03-0.400D-04 0.840D-03 0.152D-02 0.536D-03
 Coeff-Com: -0.747D-02-0.442D-01-0.246D-01 0.310D+00 0.764D+00
 Coeff:      0.508D-05-0.110D-03-0.400D-04 0.840D-03 0.152D-02 0.536D-03
 Coeff:     -0.747D-02-0.442D-01-0.246D-01 0.310D+00 0.764D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=2.19D-08 MaxDP=1.53D-06 DE= 2.51D-11 OVMax= 7.60D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.05D-08    CP:  1.06D+00  1.15D+00  1.25D+00  1.43D+00  1.24D+00
                    CP:  1.26D+00  1.45D+00  1.22D+00  1.16D+00  1.31D+00
                    CP:  1.13D+00
 E= -402.315879806036     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 8.75D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.315879806036     IErMin=12 ErrMin= 8.75D-09
 ErrMax= 8.75D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.52D-14 BMatP= 8.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.590D-06-0.486D-05-0.989D-05-0.376D-04 0.980D-04 0.740D-03
 Coeff-Com:  0.137D-02-0.237D-02-0.272D-01-0.540D-01 0.116D+00 0.965D+00
 Coeff:      0.590D-06-0.486D-05-0.989D-05-0.376D-04 0.980D-04 0.740D-03
 Coeff:      0.137D-02-0.237D-02-0.272D-01-0.540D-01 0.116D+00 0.965D+00
 Gap=     0.367 Goal=   None    Shift=    0.000
 RMSDP=7.83D-09 MaxDP=4.87D-07 DE=-3.05D-11 OVMax= 3.91D-07

 SCF Done:  E(RwB97XD) =  -402.315879806     A.U. after   12 cycles
            NFock= 12  Conv=0.78D-08     -V/T= 2.0063
 KE= 3.998049458722D+02 PE=-1.756092900753D+03 EE= 5.454465936786D+02
 Leave Link  502 at Fri Aug 13 11:11:39 2021, MaxMem=  5637144576 cpu:            1860.8 elap:             235.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.66927755D+02

 Leave Link  801 at Fri Aug 13 11:11:40 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 2.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.73D-01 5.24D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.46D-02 3.66D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.95D-03 9.49D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.21D-04 2.56D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.70D-06 3.28D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.31D-07 4.78D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.95D-09 7.40D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.39D-11 1.13D-06.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 7.55D-13 1.05D-07.
      3 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.16D-14 1.40D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.862463D+02
      2  0.851843D-01  0.804535D+02
      3 -0.199648D+01  0.142632D+01  0.706572D+02
 Isotropic polarizability for W=    0.088559       79.12 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.743619D+02 -0.812469D+01 -0.285288D+01
      2  -0.423511D+02  0.912229D+01 -0.609690D+00
      3  -0.320108D+02 -0.997598D+00  0.346257D+01
      4  -0.367959D+01  0.381752D+02 -0.212085D+02
      5   0.545858D+01 -0.231843D+02  0.752221D+02
      6  -0.914608D+01  0.753182D+01  0.177753D+00
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.569779D+00 -0.457460D+00  0.112259D+01
      2   0.272584D+01 -0.805796D+01  0.342001D+02
      3   0.633108D+01 -0.173022D+02  0.867344D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.197584D+01  0.814151D+01 -0.117535D+01
      2  -0.831146D+01 -0.120624D+02  0.107233D+03
      3   0.444510D+01 -0.805263D+02  0.140382D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.186220D+00 -0.588337D+00 -0.145470D+01
      2  -0.588337D+00  0.160601D+01 -0.886144D+00
      3  -0.145470D+01 -0.886144D+00 -0.234536D+00
 OR G Eigenvalues:    -1.9712     1.1932     1.9633  Iso=    -0.3951
 Eigenvectors:
   (1)   0.660237   0.281112   0.696465
   (2)   0.751056  -0.245364  -0.612953
   (3)  -0.001421   0.927778  -0.373129
 w=    0.088559 a.u., Optical Rotation Beta=     -0.3951 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =     -171.02 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 7.99D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.73D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.57D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 1.89D-02 4.26D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.03D-03 3.09D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.34D-05 5.88D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.91D-07 4.71D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.60D-09 3.69D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.06D-11 2.78D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 6.33D-14 2.43D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.28D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 4.28D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.52D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862463D+02  0.851843D-01 -0.199648D+01
      2   0.851843D-01  0.804535D+02  0.142632D+01
      3  -0.199648D+01  0.142632D+01  0.706572D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.569779D+00 -0.457460D+00  0.112259D+01
      2   0.272584D+01 -0.805796D+01  0.342001D+02
      3   0.633108D+01 -0.173022D+02  0.867344D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.743619D+02 -0.812469D+01 -0.285288D+01
      2  -0.423511D+02  0.912229D+01 -0.609690D+00
      3  -0.320108D+02 -0.997598D+00  0.346257D+01
      4  -0.367959D+01  0.381752D+02 -0.212085D+02
      5   0.545858D+01 -0.231843D+02  0.752221D+02
      6  -0.914608D+01  0.753182D+01  0.177753D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.801124D+00  0.401710D+01 -0.235560D+01  0.460337D+01 -0.292052D+01
      2   0.401710D+01 -0.237067D+01 -0.103115D+01 -0.292052D+01 -0.216608D+01
      3  -0.235560D+01 -0.103115D+01  0.758472D+00 -0.952365D+00 -0.216463D+01
                 6             7             8             9            10 
      1  -0.952365D+00 -0.253390D+01 -0.621826D+00 -0.300923D+00  0.180955D+01
      2  -0.216463D+01 -0.621826D+00 -0.213088D+01 -0.304009D+01 -0.365241D+01
      3  -0.269473D+01 -0.300923D+00 -0.304009D+01  0.624744D+01  0.275515D+01
                11            12            13            14            15 
      1  -0.365241D+01  0.275515D+01 -0.483955D+01  0.167172D+01  0.107188D+01
      2   0.179747D+01  0.123765D+01  0.167172D+01  0.248150D+01  0.240731D+01
      3   0.123765D+01 -0.368029D+00  0.107188D+01  0.240731D+01  0.317055D+01
                16            17            18            19            20 
      1   0.299931D+01  0.796565D+00 -0.103905D+00 -0.754864D+00  0.349496D+01
      2   0.796565D+00  0.209044D+01  0.372317D+01  0.349496D+01 -0.944077D+00
      3  -0.103905D+00  0.372317D+01 -0.411636D+01 -0.555302D+00 -0.228912D+00
                21            22            23            24            25 
      1  -0.555302D+00  0.394437D+01  0.200718D+00  0.238173D+00 -0.814161D+00
      2  -0.228912D+00  0.200718D+00 -0.214462D+01 -0.113624D+01  0.760747D+00
      3  -0.618448D-01  0.238173D+00 -0.113624D+01 -0.119413D+01  0.224850D+00
                26            27            28            29            30 
      1   0.760747D+00  0.224850D+00 -0.201733D+01 -0.225525D+01 -0.286621D+00
      2  -0.123749D+01 -0.225011D+01 -0.225525D+01  0.178643D+00  0.718132D+00
      3  -0.225011D+01  0.552298D+01 -0.286621D+00  0.718132D+00 -0.324807D+00
                31            32            33            34            35 
      1  -0.505338D+00  0.177519D+01  0.103279D+01  0.206413D-01  0.123908D+01
      2   0.177519D+01  0.538308D+01  0.164877D+01  0.123908D+01  0.210769D+01
      3   0.103279D+01  0.164877D+01  0.814772D+00  0.329904D+00  0.869523D+00
                36            37            38            39            40 
      1   0.329904D+00 -0.799903D+01  0.129664D+01  0.147765D+01 -0.202728D+01
      2   0.869523D+00  0.129664D+01 -0.191615D+01 -0.534421D+00 -0.366914D+01
      3   0.278494D-01  0.147765D+01 -0.534421D+00 -0.108602D+01 -0.203405D+00
                41            42            43            44            45 
      1  -0.366914D+01 -0.203405D+00  0.130577D+01 -0.788922D+00 -0.199392D+01
      2  -0.153166D+01 -0.266336D+00 -0.788922D+00 -0.673682D+00  0.581503D+00
      3  -0.266336D+00 -0.390143D-01 -0.199392D+01  0.581503D+00  0.187665D+01
                46            47            48            49            50 
      1   0.511001D+00  0.468384D+01 -0.296216D+01  0.455131D+01 -0.189803D+01
      2   0.468384D+01 -0.205979D+01 -0.862446D+00 -0.189803D+01 -0.548411D+00
      3  -0.296216D+01 -0.862446D+00  0.488812D+00 -0.942610D+00 -0.292325D+01
                51            52            53            54            55 
      1  -0.942610D+00 -0.210730D+01 -0.901166D+00  0.326369D+00 -0.833069D+00
      2  -0.292325D+01 -0.901166D+00 -0.221309D+01 -0.327575D+01 -0.142033D+01
      3  -0.259103D+01  0.326369D+00 -0.327575D+01  0.269095D+01 -0.163517D+00
                56            57            58            59            60 
      1  -0.142033D+01 -0.163517D+00 -0.110529D+01 -0.282114D+01  0.167073D+00
      2  -0.250170D+01  0.346958D+00 -0.282114D+01  0.230953D+01  0.215787D+01
      3   0.346958D+00 -0.197064D+01  0.167073D+00  0.215787D+01  0.164374D+00
                61            62            63            64            65 
      1   0.914559D-01  0.435242D+00 -0.237239D+01 -0.160677D+01 -0.280789D+01
      2   0.435242D+00  0.241999D+01  0.512413D+00 -0.280789D+01 -0.185847D+01
      3  -0.237239D+01  0.512413D+00 -0.219033D+01 -0.989122D+00 -0.921335D+00
                66            67            68            69            70 
      1  -0.989122D+00 -0.409453D+01 -0.246547D+01 -0.706284D+00 -0.145814D+01
      2  -0.921335D+00 -0.246547D+01 -0.117608D+02 -0.230994D+01 -0.742179D+00
      3  -0.446478D+00 -0.706284D+00 -0.230994D+01 -0.270913D+01 -0.115875D+01
                71            72            73            74            75 
      1  -0.742179D+00 -0.115875D+01  0.259897D+00 -0.247753D+00 -0.104453D+01
      2  -0.188786D+01 -0.326668D+01 -0.247753D+00  0.113755D+00  0.248091D-01
      3  -0.326668D+01 -0.255324D+01 -0.104453D+01  0.248091D-01  0.709646D-02
                76            77            78            79            80 
      1  -0.521199D+00 -0.723216D-01  0.164881D+00 -0.182852D+01 -0.428361D-01
      2  -0.723216D-01  0.147709D+01 -0.123476D+01 -0.428361D-01 -0.168361D+01
      3   0.164881D+00 -0.123476D+01  0.127138D+01 -0.223556D+00  0.181116D+01
                81            82            83            84            85 
      1  -0.223556D+00 -0.983974D+00 -0.369650D+00 -0.110098D+01 -0.895823D+00
      2   0.181116D+01 -0.369650D+00 -0.277742D+00 -0.902729D-01 -0.387835D+00
      3  -0.788871D+01 -0.110098D+01 -0.902729D-01 -0.196931D+00 -0.213686D+00
                86            87            88            89            90 
      1  -0.387835D+00 -0.213686D+00 -0.159959D+01 -0.219003D+00 -0.212101D-01
      2  -0.555820D+01 -0.225437D+01 -0.219003D+00 -0.230681D+01 -0.224768D+01
      3  -0.225437D+01 -0.260786D+01 -0.212101D-01 -0.224768D+01 -0.209965D+01
                91            92            93            94            95 
      1   0.132967D+01  0.208236D+01  0.723998D-01  0.466029D+01  0.514555D+00
      2   0.208236D+01  0.367051D+00  0.178322D+00  0.514555D+00  0.426693D+01
      3   0.723998D-01  0.178322D+00 -0.318092D+00 -0.386409D+00  0.975464D+00
                96            97            98            99           100 
      1  -0.386409D+00  0.731362D+00 -0.529397D-01 -0.707980D+00 -0.317543D-01
      2   0.975464D+00 -0.529397D-01  0.929303D+00  0.666616D+00  0.885016D+00
      3   0.108374D+01 -0.707980D+00  0.666616D+00  0.904441D+00  0.789295D+00
               101           102           103           104           105 
      1   0.885016D+00  0.789295D+00  0.965168D+00 -0.155159D+00  0.424241D+00
      2   0.454774D+00  0.587411D+00 -0.155159D+00  0.979692D+00  0.419376D+00
      3   0.587411D+00  0.153238D+01  0.424241D+00  0.419376D+00  0.283731D+00
               106           107           108           109           110 
      1   0.206366D+01  0.219016D+00  0.174442D+01  0.107621D+01  0.158726D+01
      2   0.219016D+00  0.192956D+01  0.876486D+00  0.158726D+01  0.284958D+01
      3   0.174442D+01  0.876486D+00  0.482826D+01 -0.284891D+00 -0.558375D+00
               111           112           113           114           115 
      1  -0.284891D+00  0.242792D+01  0.244650D+01 -0.589521D+00 -0.113431D+01
      2  -0.558375D+00  0.244650D+01  0.604451D+01 -0.120829D+01 -0.985001D+00
      3   0.643292D+00 -0.589521D+00 -0.120829D+01  0.130514D+01  0.677129D+00
               116           117           118           119           120 
      1  -0.985001D+00  0.677129D+00 -0.469225D+01 -0.199977D+01  0.174318D+01
      2  -0.272691D+01  0.142914D+01 -0.199977D+01 -0.176790D+01  0.134727D+01
      3   0.142914D+01 -0.113541D+01  0.174318D+01  0.134727D+01 -0.270294D+01
               121           122           123           124           125 
      1  -0.220245D+01 -0.108798D+01  0.818584D+00  0.129589D+01  0.788108D+00
      2  -0.108798D+01 -0.205876D+01  0.151423D+01  0.788108D+00  0.111252D+01
      3   0.818584D+00  0.151423D+01 -0.120529D+01 -0.138302D+01 -0.711175D+00
               126           127           128           129           130 
      1  -0.138302D+01  0.460348D+01 -0.324579D+01  0.176558D+01 -0.322534D+01
      2  -0.711175D+00 -0.324579D+01  0.323066D+01 -0.113827D+01  0.283613D+01
      3   0.161617D+01  0.176558D+01 -0.113827D+01  0.176722D+01 -0.962132D+00
               131           132           133           134           135 
      1   0.283613D+01 -0.962132D+00  0.764474D+00 -0.497909D+00  0.977383D+00
      2  -0.404343D+01  0.177761D+01 -0.497909D+00  0.951486D+00 -0.688831D+00
      3   0.177761D+01 -0.128063D+01  0.977383D+00 -0.688831D+00  0.729899D+00
               136           137           138           139           140 
      1   0.947158D+00  0.130121D-01  0.123290D+01  0.737752D+00  0.751059D+00
      2   0.130121D-01  0.100646D+01  0.348579D+00  0.751059D+00  0.308753D+01
      3   0.123290D+01  0.348579D+00  0.104281D+01  0.692065D+00  0.200474D+01
               141           142           143           144           145 
      1   0.692065D+00  0.120419D+01  0.196232D+00  0.753863D+00  0.192982D+00
      2   0.200474D+01  0.196232D+00  0.207363D+01  0.178953D+01 -0.101844D+00
      3   0.348781D+01  0.753863D+00  0.178953D+01  0.386012D+01 -0.739426D+00
               146           147           148           149           150 
      1  -0.101844D+00 -0.739426D+00 -0.128855D-01  0.633666D+00 -0.242602D+00
      2   0.103993D+00  0.125318D+00  0.633666D+00  0.102788D+01 -0.113178D+01
      3   0.125318D+00 -0.975845D-01 -0.242602D+00 -0.113178D+01  0.169226D+01
               151           152           153           154           155 
      1  -0.204930D+01 -0.316168D+00  0.169100D+01  0.130025D+01  0.937912D+00
      2  -0.316168D+00 -0.148436D+01  0.195938D+01  0.937912D+00  0.133739D+01
      3   0.169100D+01  0.195938D+01 -0.893112D+01  0.703362D+00  0.414072D+00
               156           157           158           159           160 
      1   0.703362D+00  0.230255D+01  0.199630D+01  0.287129D+00  0.194067D+01
      2   0.414072D+00  0.199630D+01  0.506585D+01  0.144519D+01  0.834320D+00
      3   0.340961D+00  0.287129D+00  0.144519D+01  0.181338D+01  0.578313D+00
               161           162           163           164           165 
      1   0.834320D+00  0.578313D+00  0.768997D+01 -0.289739D+01 -0.573751D-01
      2   0.222793D+01  0.149937D+01 -0.289739D+01  0.225672D+01  0.366553D-01
      3   0.149937D+01  0.101805D+01 -0.573751D-01  0.366553D-01  0.992318D+00
               166           167           168           169           170 
      1  -0.476305D+01  0.265175D+01  0.302203D+00  0.110779D+01 -0.101356D+00
      2   0.265175D+01 -0.231165D+01  0.279040D+00 -0.101356D+00  0.502137D+00
      3   0.302203D+00  0.279040D+00 -0.765304D+00  0.962421D+00 -0.237966D+00
               171 
      1   0.962421D+00
      2  -0.237966D+00
      3  -0.407996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.293635D+01  0.226368D+01  0.110561D+01  0.284636D+01  0.222478D+01
      2  -0.737034D+01  0.742623D+00  0.116402D+01  0.157485D+01 -0.862944D+01
      3  -0.117696D+02  0.594110D+01  0.298855D+01  0.126411D+02  0.722684D+01
                 6             7             8             9            10 
      1   0.599773D+00  0.191177D+01  0.421797D+01  0.758467D-01  0.335598D+01
      2  -0.866313D+01 -0.633638D+01 -0.938654D+01  0.177715D+02  0.707419D+01
      3   0.554189D+01  0.106606D+01  0.651360D+01  0.819819D+01  0.469229D+01
                11            12            13            14            15 
      1  -0.404801D+00 -0.264625D+00 -0.395480D+00  0.334609D+01 -0.259670D+01
      2  -0.992667D+00  0.364175D+01 -0.193800D+01  0.408531D+01  0.366742D+01
      3  -0.250322D+01 -0.177448D+01  0.410081D+01 -0.587550D+01 -0.509404D+01
                16            17            18            19            20 
      1  -0.893839D-01  0.401890D+01 -0.300167D+01 -0.346275D+01  0.784100D+00
      2  -0.371204D+01  0.432800D+01 -0.396319D+01 -0.129058D+01  0.135919D+01
      3  -0.206257D+01 -0.409357D+01 -0.429360D+01  0.162839D+01 -0.417762D+01
                21            22            23            24            25 
      1  -0.104484D+01  0.470995D+00  0.941054D+00  0.123623D+01 -0.157607D+01
      2   0.105516D+01  0.488824D+01 -0.207428D+01  0.256300D+01 -0.330587D+01
      3   0.672200D+00  0.102340D+01 -0.302663D+01  0.142316D+01 -0.129032D+01
                26            27            28            29            30 
      1   0.549783D+01  0.634629D+00  0.123561D+01  0.122836D+01  0.311889D+00
      2   0.982991D+00 -0.221729D+01 -0.550342D+01  0.402912D+00 -0.471040D+01
      3   0.116314D+01  0.636007D+00 -0.751053D+01  0.114499D-01 -0.120596D+01
                31            32            33            34            35 
      1   0.264090D+01 -0.553485D+01  0.673509D+01  0.134233D+01  0.673130D+01
      2   0.550873D+01 -0.361884D-01 -0.274258D+01 -0.177633D+02 -0.285070D+01
      3   0.950762D+00  0.120352D+02 -0.426079D-01 -0.301534D+01 -0.354151D+00
                36            37            38            39            40 
      1   0.521643D+01 -0.150960D+01 -0.256268D+01  0.225635D+01 -0.183292D+01
      2   0.349192D+01  0.587069D+00  0.244178D+01  0.876910D+01  0.187088D+01
      3   0.968299D+00 -0.377367D+01 -0.146470D+02 -0.128654D+01 -0.116580D+02
                41            42            43            44            45 
      1  -0.173885D+01 -0.372551D+01  0.122245D-01  0.226948D+01 -0.143701D+01
      2   0.195117D+01  0.834518D+00  0.633397D+01  0.363240D+00 -0.532295D+01
      3  -0.110890D+02 -0.129651D+01 -0.441031D+00 -0.425916D-01  0.931729D+00
                46            47            48            49            50 
      1   0.423803D+01 -0.422907D+01 -0.892943D+00 -0.344379D+01 -0.422596D+01
      2  -0.568491D+01 -0.949802D+01  0.938680D+01 -0.777290D+01 -0.156672D+01
      3  -0.746117D+01 -0.468813D+01  0.521459D+01 -0.123615D+01  0.399473D+01
                51            52            53            54            55 
      1  -0.118856D+02 -0.142390D+01 -0.680992D+01 -0.185645D+01  0.430195D+00
      2  -0.266702D+01  0.244589D+01 -0.303496D+01  0.212188D+01  0.556965D+00
      3   0.500337D+01  0.399256D+01  0.455969D+01  0.413092D+01 -0.328379D+01
                56            57            58            59            60 
      1  -0.316835D+01  0.604476D+01 -0.306912D+01 -0.776073D+01 -0.455238D+01
      2   0.208204D+01  0.600780D+01 -0.157201D+00  0.173365D+00 -0.137698D+01
      3  -0.110246D+02 -0.179545D+01  0.145730D+01 -0.301488D+01  0.181116D+01
                61            62            63            64            65 
      1   0.674560D+01  0.422456D+01  0.491605D+01  0.385234D+00  0.991090D+00
      2  -0.175247D+01 -0.108015D+01  0.199754D+01  0.124472D+01  0.368437D+00
      3   0.713985D+00  0.377644D+01 -0.577045D+01 -0.822968D+00 -0.467028D+01
                66            67            68            69            70 
      1  -0.228605D+01  0.188296D+00  0.496058D+01 -0.997644D+01 -0.513664D+00
      2   0.490726D+01 -0.583678D+01  0.159765D+01  0.544728D+01  0.132304D+01
      3  -0.714623D+00  0.890397D+01 -0.197257D+02 -0.228196D+01  0.150294D+01
                71            72            73            74            75 
      1   0.189083D+01 -0.211499D+01  0.622838D+00 -0.380568D+00  0.139799D+00
      2   0.566354D+01  0.295449D+01  0.109562D+01 -0.177266D+00  0.147349D+00
      3  -0.222760D+01 -0.546220D+01  0.551633D+00 -0.406513D+00 -0.484353D+00
                76            77            78            79            80 
      1  -0.265366D+00 -0.172998D+01 -0.712600D+00  0.232506D+00  0.276922D+01
      2  -0.242631D+00  0.437032D+00 -0.366445D+00 -0.373486D+01  0.232738D-01
      3   0.145351D+01  0.397070D+00 -0.268136D+00 -0.953264D+00 -0.483907D+00
                81            82            83            84            85 
      1   0.209958D+01 -0.967945D+00  0.117755D+00 -0.238191D+00 -0.179900D+00
      2   0.873846D+00 -0.246573D+01 -0.259839D+00 -0.121463D+00 -0.160202D+01
      3   0.356096D-01  0.219114D+01  0.464538D+00  0.122820D+01  0.443807D+01
                86            87            88            89            90 
      1   0.106543D+01 -0.322039D+01  0.779636D-03  0.745664D+00 -0.103320D+01
      2  -0.259234D+01 -0.300377D+01 -0.278413D+01 -0.251335D+01 -0.229432D+01
      3   0.737461D+01  0.331979D+01  0.249233D+01  0.320159D+01  0.302832D+01
                91            92            93            94            95 
      1   0.145484D+01  0.156277D+01  0.139134D+01  0.186498D+01  0.222802D+01
      2  -0.247893D+01 -0.220605D+01 -0.152708D+01 -0.232996D+01 -0.418644D+01
      3   0.689465D+01  0.857629D+01  0.787845D+00  0.123121D+02  0.168079D+02
                96            97            98            99           100 
      1  -0.419408D+00  0.120716D+01  0.161566D+01 -0.267603D+00 -0.144970D+01
      2  -0.345125D+01 -0.205484D+01 -0.239421D+01 -0.129457D+01 -0.105715D+01
      3   0.296149D+01  0.130241D+01  0.229165D+01  0.454214D+00  0.894932D+00
               101           102           103           104           105 
      1  -0.403532D+00 -0.438468D+01 -0.104599D+01 -0.256411D+00 -0.608628D+00
      2  -0.777931D+00 -0.566674D+00 -0.782741D+00  0.119804D+00  0.649227D-01
      3   0.104586D+01  0.196172D+01  0.215032D+01 -0.387041D+00  0.785223D+00
               106           107           108           109           110 
      1  -0.512920D+01  0.820508D+00 -0.109942D+02  0.106599D+01  0.257973D+01
      2  -0.374655D+01  0.126726D+00 -0.195752D+01  0.316418D+00 -0.247902D+00
      3   0.520323D+01 -0.330826D-01  0.474253D+01  0.399700D+01  0.316685D+01
               111           112           113           114           115 
      1  -0.264847D+01  0.296385D+01  0.464470D+01 -0.428423D+01 -0.246098D+01
      2   0.174972D+00 -0.257653D+00 -0.383322D+00  0.617960D+00 -0.974779D+00
      3  -0.935242D+00  0.799399D+01  0.603517D+01 -0.202184D+01 -0.393071D+01
               116           117           118           119           120 
      1  -0.314481D+01  0.293036D+01 -0.170366D+01 -0.234281D+01 -0.185921D+01
      2   0.206597D+00 -0.237251D+00  0.118425D+02  0.461912D+01 -0.346570D+01
      3  -0.293254D+01  0.205025D+01  0.967027D+01  0.282190D+01 -0.304700D+01
               121           122           123           124           125 
      1  -0.121196D+01 -0.148669D+01 -0.931356D-01 -0.444934D+00  0.225680D+01
      2   0.509799D+01  0.330668D+01 -0.188046D+01 -0.511745D+01 -0.210802D+01
      3   0.555817D+01  0.295122D+01 -0.256087D+01 -0.244726D+01 -0.153959D+01
               126           127           128           129           130 
      1   0.674901D+00 -0.296763D+01  0.439901D+01  0.166871D+01  0.325722D+01
      2   0.337413D+01 -0.476901D+01  0.304649D+01  0.238625D+01  0.430755D+01
      3   0.256953D+01 -0.135179D+01 -0.297229D+01  0.134707D-01  0.157287D+01
               131           132           133           134           135 
      1  -0.404310D+01 -0.657936D+00  0.132370D+00  0.188437D+01 -0.931861D-01
      2  -0.168283D+01 -0.135349D+01 -0.136062D+01  0.209982D+00 -0.145696D+00
      3   0.342078D+01 -0.154115D+01 -0.671226D+00 -0.105386D+01 -0.248615D+00
               136           137           138           139           140 
      1   0.952207D+00  0.253493D+01  0.106998D+01  0.170752D+01  0.101996D+02
      2   0.715529D-01  0.532014D+00  0.477098D+00 -0.141717D+01  0.204771D+01
      3   0.111941D-01 -0.248706D+01 -0.131561D+01  0.105317D+00 -0.627514D+01
               141           142           143           144           145 
      1   0.523744D+01  0.100194D+01  0.816668D+01  0.615599D+01  0.191681D+00
      2   0.438606D+01 -0.260105D+01  0.213115D+01  0.403816D+01 -0.230552D+01
      3  -0.344797D+01 -0.483376D+00 -0.365108D+01 -0.315395D+01  0.298563D+00
               146           147           148           149           150 
      1   0.466103D-01 -0.134727D+00 -0.348551D+00 -0.136280D+01 -0.518556D+00
      2  -0.725405D-01  0.306375D+00  0.599074D-01 -0.201986D+01  0.464649D+01
      3  -0.993910D+00 -0.261649D+00 -0.389967D+00 -0.282323D+01  0.261620D+01
               151           152           153           154           155 
      1  -0.659340D-01  0.374721D+01  0.871631D+00 -0.105958D+01 -0.127810D+01
      2  -0.113443D+01  0.492230D+01 -0.220699D+02  0.312206D+01  0.183102D+01
      3  -0.332422D+00  0.419425D+01 -0.510608D+01 -0.290105D+01 -0.415615D+01
               156           157           158           159           160 
      1  -0.995174D+00 -0.140717D+01 -0.394488D+01 -0.415817D+01 -0.820057D+00
      2   0.221540D+01  0.173682D+01  0.640818D+01  0.644550D+01  0.900445D+00
      3  -0.799828D+00 -0.210396D+01 -0.157139D+02 -0.482480D+01 -0.658831D+00
               161           162           163           164           165 
      1  -0.898679D+00 -0.228173D+01  0.212461D+01 -0.173812D+01  0.760469D+00
      2   0.494921D+01  0.393463D+01  0.601379D+01 -0.248212D+01  0.508340D+01
      3  -0.734797D+01 -0.431293D+01  0.800043D+01 -0.953040D+01  0.413455D-01
               166           167           168           169           170 
      1  -0.173914D+01  0.176278D+01 -0.173023D+01 -0.185126D-01  0.225590D+00
      2  -0.270792D+01  0.304452D+01 -0.316803D+01  0.224728D+01 -0.582442D+00
      3  -0.614542D+01  0.773091D+01 -0.108346D+01  0.128414D-01 -0.194042D+01
               171 
      1   0.217469D+00
      2  -0.543675D-01
      3   0.602210D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892860D+01  0.242723D+02 -0.120946D+02  0.291371D+02 -0.157537D+02
      2   0.140431D+01 -0.135111D+02  0.562385D+01 -0.160546D+02  0.224557D+01
      3   0.752429D+01 -0.107612D+02  0.647076D+01 -0.130826D+02  0.135081D+02
      4   0.263480D+02 -0.136456D+02 -0.525603D+01 -0.198850D+02 -0.112777D+02
      5  -0.111045D+02 -0.830396D+01  0.491121D+01 -0.100403D+02 -0.101517D+02
      6  -0.493860D+01  0.203077D+01  0.102274D+00  0.139960D+01 -0.936678D+00
                 6             7             8             9            10 
      1  -0.858736D+01 -0.142023D+02 -0.617000D+01  0.116710D+02 -0.759002D+01
      2  -0.249451D+01  0.378295D+01 -0.454154D+01  0.702848D+01  0.235364D+01
      3   0.110819D+02  0.104193D+02  0.107115D+02 -0.186995D+02  0.523638D+01
      4  -0.115857D+02 -0.458035D+01 -0.130806D+02 -0.125918D+02 -0.113889D+02
      5  -0.129483D+02  0.665989D+00 -0.134210D+02  0.264763D+02  0.117034D+02
      6  -0.197960D+00 -0.110310D+01 -0.360333D+00  0.560658D+01 -0.433790D+01
                11            12            13            14            15 
      1  -0.105549D+02  0.101614D+02 -0.150312D+02  0.982754D+01  0.674547D+01
      2   0.510762D+01 -0.673308D+01  0.806292D+01 -0.793105D+01 -0.102223D+02
      3   0.544729D+01 -0.342831D+01  0.696832D+01 -0.189648D+01  0.347679D+01
      4   0.381692D+01  0.198961D+01  0.990070D+01  0.513584D+01  0.547072D+01
      5   0.384267D+01 -0.176726D+01  0.721219D+01  0.611520D+01  0.695507D+01
      6   0.149735D+01 -0.662088D+00  0.756647D+00 -0.961938D+01 -0.358162D+01
                16            17            18            19            20 
      1   0.133734D+02  0.492140D+01  0.509148D+01 -0.780702D+01 -0.721324D+00
      2  -0.665738D+01 -0.347394D+01 -0.452149D+01  0.983028D+01  0.200861D+00
      3  -0.671600D+01 -0.144746D+01 -0.569990D+00 -0.202327D+01  0.520464D+00
      4   0.502580D+01  0.498080D+01  0.872003D+01 -0.127304D+01  0.419062D+01
      5  -0.528728D+00  0.863201D+01 -0.101773D+02 -0.244968D+01 -0.871232D-01
      6   0.774132D+00 -0.586601D+01  0.203595D+01  0.347558D+01 -0.261111D+01
                21            22            23            24            25 
      1   0.967694D-01  0.695800D+01  0.383870D+01 -0.129781D+01 -0.456435D+01
      2   0.202233D+01 -0.256277D+01 -0.670582D+01 -0.341414D+01  0.343394D+01
      3  -0.211910D+01 -0.439523D+01  0.286712D+01  0.471195D+01  0.113041D+01
      4   0.130714D+01 -0.718822D+01  0.636531D+01  0.936775D+00 -0.461895D+01
      5   0.582104D+00 -0.265956D+01  0.760540D+00  0.349846D+01 -0.932797D+00
      6   0.808370D+00 -0.659614D+00  0.430831D+00 -0.546825D+01 -0.810251D+00
                26            27            28            29            30 
      1  -0.544220D+00  0.995730D+01 -0.680531D+01  0.113520D+02  0.212337D+01
      2  -0.970931D+01  0.757479D+01  0.818623D+00 -0.889955D+01 -0.650776D+01
      3   0.102535D+02 -0.175321D+02  0.598669D+01 -0.245241D+01  0.438439D+01
      4   0.109853D+01 -0.824339D-01  0.583702D+01 -0.831342D+01 -0.299807D+01
      5  -0.140310D+01  0.773123D+00  0.373880D+01 -0.320827D+01 -0.748148D+01
      6  -0.350900D+01  0.879058D+01 -0.158936D+01 -0.261928D+01 -0.128227D+01
                31            32            33            34            35 
      1   0.169959D+01  0.759999D+01  0.294892D+01  0.359001D+01 -0.136585D+01
      2  -0.422375D+01 -0.170853D+02  0.472093D+01 -0.437594D+01 -0.230915D+01
      3   0.252417D+01  0.948530D+01 -0.766985D+01  0.785928D+00  0.367500D+01
      4  -0.184996D+02 -0.236601D+02 -0.566112D+01 -0.982117D+01 -0.283264D+01
      5  -0.951063D+01 -0.758223D+01 -0.544133D+01 -0.170457D+00 -0.396849D+01
      6  -0.328011D+01 -0.859314D+01 -0.109838D+02 -0.317109D+01  0.169423D+01
                36            37            38            39            40 
      1  -0.416631D+01  0.502047D+02 -0.729268D+01 -0.524313D+01  0.644371D+01
      2  -0.309862D+01 -0.298595D+02  0.150924D+01  0.660954D+01 -0.724253D+01
      3   0.726493D+01 -0.203451D+02  0.578344D+01 -0.136641D+01  0.798820D+00
      4  -0.480958D+01 -0.165563D+02  0.157843D+02  0.229230D+01  0.169597D+02
      5   0.400363D+01 -0.934834D+01  0.145009D+01  0.162463D+02  0.445680D+00
      6  -0.725967D+01 -0.701979D+00 -0.692768D-01 -0.274688D+01 -0.165106D+01
                41            42            43            44            45 
      1   0.118920D+02 -0.275031D+00 -0.330824D+01  0.286044D+01  0.640231D+01
      2  -0.501329D+01 -0.169374D+01  0.312601D+01 -0.180204D+01 -0.101102D+02
      3  -0.687869D+01  0.196877D+01  0.182230D+00 -0.105839D+01  0.370790D+01
      4  -0.193844D+00 -0.527116D+00  0.439599D+01 -0.737613D+00 -0.320740D+01
      5  -0.327962D+00 -0.799884D+00  0.152750D+02 -0.348049D+01 -0.117161D+02
      6  -0.124701D+01  0.621634D+01 -0.106830D+01  0.426366D+01  0.157454D+01
                46            47            48            49            50 
      1   0.897549D+01  0.140420D+02 -0.937209D+01  0.132946D+02 -0.304851D+01
      2  -0.100579D+02 -0.134322D-01  0.521388D+01  0.658588D+00  0.594648D+01
      3   0.108237D+01 -0.140285D+02  0.415822D+01 -0.139531D+02 -0.289796D+01
      4   0.121542D+02 -0.172373D+02  0.576569D+01 -0.179877D+02  0.364712D+01
      5  -0.603871D+01  0.939552D+01 -0.540867D+01  0.789175D+01 -0.128319D+02
      6   0.162992D+02 -0.513294D+01 -0.352622D+01 -0.572066D+01  0.140704D+01
                51            52            53            54            55 
      1   0.316780D+01 -0.779991D+01  0.211220D+01 -0.691240D+01  0.163252D+02
      2   0.128369D+02  0.398911D+01  0.101691D+02  0.162184D+01 -0.126947D+02
      3  -0.160047D+02  0.381080D+01 -0.122813D+02  0.529056D+01 -0.363046D+01
      4  -0.861167D+01  0.325376D+01 -0.550660D+01 -0.961982D+01 -0.184515D+01
      5  -0.107180D+02 -0.644590D+01 -0.111996D+02  0.670701D+01 -0.103017D+01
      6  -0.757143D+01 -0.370664D+01 -0.468161D+01 -0.119256D+02 -0.952808D+00
                56            57            58            59            60 
      1   0.720335D+01 -0.617260D-01  0.520995D+01 -0.977357D+01 -0.653599D+01
      2  -0.130703D+02  0.394717D+01 -0.122244D+02  0.127385D+02  0.103413D+02
      3   0.586693D+01 -0.388545D+01  0.701445D+01 -0.296496D+01 -0.380529D+01
      4  -0.296784D+01 -0.140463D+01  0.307511D+01 -0.139646D+02  0.220975D+00
      5  -0.122202D-02  0.247771D+01  0.435779D+00 -0.599099D+00 -0.270319D+01
      6   0.255311D+01 -0.823587D+01  0.169905D+01  0.125511D+02  0.628556D+01
                61            62            63            64            65 
      1  -0.234712D+01 -0.744869D+01  0.499908D+00  0.105171D+02  0.557209D+01
      2   0.661314D+01  0.139466D+02  0.131149D+01 -0.219452D+01  0.141356D+01
      3  -0.426601D+01 -0.649788D+01 -0.181140D+01 -0.832259D+01 -0.698565D+01
      4   0.290407D+00  0.137969D+01 -0.842623D+01  0.163026D+02  0.189724D+02
      5   0.343047D+01 -0.219838D+01 -0.380307D+01  0.688069D+01  0.582159D+01
      6  -0.918891D+01  0.282236D+01 -0.449807D+01  0.355651D+01  0.338156D+01
                66            67            68            69            70 
      1   0.115832D+01  0.852024D+01 -0.212657D+02 -0.611963D+01  0.295312D+01
      2  -0.784909D+00  0.151287D+01  0.395883D+02  0.174087D+01 -0.958177D+00
      3  -0.373411D+00 -0.100331D+02 -0.183227D+02  0.437876D+01 -0.199494D+01
      4   0.489924D+01  0.240066D+02  0.451167D+02  0.940985D+01  0.546524D+01
      5   0.923536D+01  0.671302D+01  0.112892D+02  0.115526D+02  0.101432D+02
      6   0.434441D+01  0.541113D+01  0.134475D+02  0.171460D+02  0.532482D+01
                71            72            73            74            75 
      1  -0.467743D+01 -0.581100D+01  0.101060D+01  0.608349D+00 -0.260089D+00
      2   0.250455D+01  0.579991D+00 -0.363706D+01 -0.570416D+00 -0.405695D+00
      3   0.217289D+01  0.523100D+01  0.262646D+01 -0.379329D-01  0.665784D+00
      4   0.697188D+01  0.126277D+02 -0.258239D+00  0.171484D+01 -0.189448D+01
      5   0.128850D+02  0.103642D+02  0.262155D+00 -0.129182D+01  0.536668D+01
      6   0.142815D+02  0.977607D+01 -0.201490D+01  0.789784D+00 -0.652801D-01
                76            77            78            79            80 
      1   0.281417D+00 -0.537565D+01  0.336465D+01  0.552292D+00  0.539632D+01
      2   0.270289D+00  0.188985D+01 -0.544813D+00  0.333434D+00  0.433365D+00
      3  -0.551706D+00  0.348579D+01 -0.281984D+01 -0.885726D+00 -0.582968D+01
      4   0.258311D+01 -0.114159D+01  0.519033D+00 -0.539798D+00  0.948538D+00
      5  -0.614773D+00  0.481927D-01 -0.748594D+00  0.546321D+01  0.186400D+00
      6   0.897127D+00 -0.411192D+01  0.852397D+01  0.308325D+00  0.779760D+01
                81            82            83            84            85 
      1  -0.185318D+02 -0.345228D+00 -0.989437D+00 -0.271648D+01 -0.286611D+01
      2  -0.130495D+02  0.220250D+01  0.767399D+00  0.188387D+01  0.216438D+01
      3   0.315813D+02 -0.185727D+01  0.222038D+00  0.832604D+00  0.701729D+00
      4  -0.489313D+00 -0.289423D+00  0.324651D+01  0.137609D+01  0.254081D+01
      5   0.114188D+01 -0.202003D+01  0.122397D+01  0.204051D+01  0.101235D+01
      6  -0.134050D+02  0.294214D+01  0.482148D+00  0.759955D+00  0.648405D+00
                86            87            88            89            90 
      1  -0.133855D+02 -0.503775D+01 -0.430232D+01 -0.615272D+01 -0.728161D+01
      2   0.178498D+02  0.674483D+01  0.232236D+01  0.431815D+01  0.209876D+01
      3  -0.446430D+01 -0.170707D+01  0.197997D+01  0.183457D+01  0.518285D+01
      4  -0.111251D+02 -0.445496D+01 -0.702861D-01 -0.482874D+01 -0.419009D+01
      5  -0.445305D+01 -0.605481D+01  0.267619D+01 -0.447316D+01 -0.378126D+01
      6   0.120197D+02  0.994884D+01  0.963388D+00  0.102842D+02  0.903602D+01
                91            92            93            94            95 
      1  -0.116376D+02 -0.401461D+01  0.595523D-01 -0.170737D+02 -0.608014D+01
      2   0.105248D+02  0.679078D+00  0.175704D-02  0.101069D+02  0.855788D+01
      3   0.111282D+01  0.333553D+01 -0.613093D-01  0.696672D+01 -0.247774D+01
      4  -0.460303D+01  0.121535D+01  0.148878D+00  0.610220D+01 -0.157926D+02
      5   0.657714D+00  0.648707D+00 -0.130846D+01  0.278205D+01 -0.302100D+01
      6   0.102427D+01 -0.664413D+00 -0.217631D+01 -0.621243D+00  0.285567D+01
                96            97            98            99           100 
      1  -0.362649D-01 -0.164730D+01 -0.151527D+01 -0.792706D+00 -0.164640D+01
      2   0.655959D+00  0.127996D+01  0.130107D+01 -0.357059D+00  0.127443D+01
      3  -0.619694D+00  0.367342D+00  0.214201D+00  0.114976D+01  0.371972D+00
      4  -0.399189D+01  0.969353D+00 -0.327412D+01 -0.335902D+01  0.191654D+01
      5  -0.518908D+01  0.349769D+01 -0.295023D+01 -0.293083D+01  0.126880D+01
      6   0.180826D+01 -0.162312D+01  0.292453D+01  0.179902D+01  0.368514D+01
               101           102           103           104           105 
      1  -0.161782D+01 -0.196919D+01  0.100404D+01 -0.291232D+01 -0.779334D+00
      2   0.214940D+01 -0.212967D-01 -0.855148D+00  0.348322D+01  0.978675D+00
      3  -0.531584D+00  0.199048D+01 -0.148888D+00 -0.570900D+00 -0.199342D+00
      4   0.312891D+01  0.300674D+01  0.265844D+01  0.174652D+01  0.158781D+01
      5   0.171019D+01  0.277956D+01  0.196317D+01  0.421643D+00  0.161596D+01
      6   0.202852D+01  0.669719D+01  0.124291D+01  0.233256D+01  0.287806D+01
               106           107           108           109           110 
      1  -0.182599D+01 -0.419487D+01 -0.776702D+01 -0.179333D+01 -0.682378D+01
      2  -0.182831D+01  0.498749D+01 -0.424919D+01  0.586051D+01  0.141576D+02
      3   0.365430D+01 -0.792616D+00  0.120162D+02 -0.406719D+01 -0.733382D+01
      4   0.634813D+01  0.222997D+01  0.542509D+01  0.488680D+01  0.893163D+01
      5   0.335132D+01  0.152195D+01  0.481777D+01 -0.130425D+01 -0.107631D+01
      6   0.637459D+01  0.522249D+01  0.159554D+02 -0.237093D+01 -0.370163D+01
               111           112           113           114           115 
      1   0.614795D+00 -0.566018D+01 -0.165590D+02  0.344567D+01  0.255605D+01
      2  -0.275580D+01  0.115566D+02  0.312132D+02 -0.693680D+01 -0.443851D+01
      3   0.214100D+01 -0.589640D+01 -0.146543D+02  0.349113D+01  0.188246D+01
      4  -0.175105D+01  0.965407D+01  0.113272D+02 -0.317141D+01 -0.335553D+01
      5   0.201209D+01  0.131674D+00 -0.134886D+01  0.796409D+00  0.186550D+01
      6   0.322848D+01 -0.374462D+01 -0.844811D+01  0.649244D+01  0.382596D+01
               116           117           118           119           120 
      1   0.753565D+01 -0.469964D+01 -0.971680D+01 -0.953381D+01  0.109473D+02
      2  -0.124000D+02  0.565018D+01  0.542360D+01  0.647590D+01 -0.103951D+01
      3   0.486437D+01 -0.950536D+00  0.429320D+01  0.305791D+01 -0.990782D+01
      4  -0.454828D+01  0.322441D+01  0.701438D+01  0.417556D+01 -0.238136D+01
      5   0.142275D+01 -0.100952D+01 -0.952323D+01 -0.396768D+01  0.322577D+01
      6   0.945739D+01 -0.609288D+01 -0.793942D+01 -0.816916D+01  0.881497D+01
               121           122           123           124           125 
      1  -0.807510D+01 -0.867165D+01  0.640397D+01  0.702816D+01  0.513542D+01
      2   0.530380D+01  0.776029D+01 -0.342835D+01 -0.725740D+00 -0.263108D+01
      3   0.277130D+01  0.911360D+00 -0.297562D+01 -0.630243D+01 -0.250434D+01
      4   0.591847D+01  0.762504D+00  0.139328D+00 -0.214487D+01 -0.554015D+00
      5  -0.499139D+01 -0.404430D+00  0.147641D+01  0.554103D+01  0.232833D+01
      6  -0.498620D+01 -0.856253D+01  0.820442D+01  0.579689D+01  0.688594D+01
               126           127           128           129           130 
      1  -0.793941D+01  0.163872D+02 -0.672748D+01  0.183572D+01 -0.731767D+01
      2  -0.853178D+00 -0.395993D+01 -0.342754D+01 -0.304810D+01 -0.259579D+01
      3   0.879259D+01 -0.124273D+02  0.101550D+02  0.121238D+01  0.991346D+01
      4   0.279380D+01 -0.224596D+02  0.203848D+02 -0.786595D+01  0.193696D+02
      5  -0.286583D+01  0.167972D+02 -0.116597D+02  0.120334D+02 -0.112446D+02
      6  -0.595437D+01 -0.107383D+02  0.109243D+02 -0.713422D+01  0.894674D+01
               131           132           133           134           135 
      1  -0.654676D+00  0.141358D+01  0.418548D+00  0.100434D+01  0.194009D+00
      2   0.104068D+02 -0.142043D+01 -0.193306D+01 -0.270279D+00 -0.171002D+01
      3  -0.975208D+01  0.684811D-02  0.151451D+01 -0.734060D+00  0.151601D+01
      4  -0.213048D+02  0.784664D+01 -0.354801D+01  0.408772D+01 -0.501791D+01
      5   0.113759D+02 -0.700582D+01  0.820477D+01 -0.486090D+01  0.527481D+01
      6  -0.132533D+02  0.980488D+01 -0.492144D+01  0.725535D+01 -0.407977D+01
               136           137           138           139           140 
      1   0.175164D+01  0.474341D+00  0.231805D+01  0.221917D+01 -0.167895D+01
      2  -0.338414D+01 -0.227552D+01 -0.476387D+01 -0.396802D+01 -0.435324D+01
      3   0.163250D+01  0.180118D+01  0.244583D+01  0.174885D+01  0.603219D+01
      4   0.985883D+00  0.536513D+01  0.801032D+00  0.454297D+01  0.790673D+01
      5   0.612795D+01  0.210834D+01  0.821446D+01  0.559235D+01  0.823235D+01
      6   0.142135D+00  0.322822D+01  0.137322D+01  0.258398D+01  0.109036D+02
               141           142           143           144           145 
      1  -0.533196D+01  0.219166D+01 -0.298470D+01 -0.739350D+01  0.181116D+01
      2  -0.996216D+01 -0.449700D+01 -0.664464D+01 -0.127191D+02 -0.316265D+01
      3   0.152941D+02  0.230534D+01  0.962934D+01  0.201126D+02  0.135149D+01
      4   0.573237D+01  0.275049D+00  0.505506D+01  0.501749D+01 -0.765156D+00
      5   0.121127D+02  0.761762D+01  0.609761D+01  0.128356D+02 -0.341914D+01
      6   0.764218D+01  0.115125D+01  0.892245D+01  0.642336D+01 -0.639336D+00
               146           147           148           149           150 
      1  -0.630274D+00 -0.497739D+01 -0.559438D+00 -0.651978D+00  0.285022D+01
      2   0.364286D+00  0.233808D+01 -0.207625D+00 -0.528869D+00  0.169570D+01
      3   0.265988D+00  0.263931D+01  0.767062D+00  0.118085D+01 -0.454592D+01
      4   0.242343D+01 -0.962993D+00  0.508972D+01  0.498283D+01 -0.515093D+01
      5  -0.647988D+00  0.582872D+01 -0.194809D+01 -0.495029D+01  0.889064D+01
      6  -0.107581D+00  0.316178D+00 -0.132522D+01 -0.336670D+01  0.761847D+01
               151           152           153           154           155 
      1  -0.866062D+01  0.302877D+01 -0.130505D+02  0.940249D+01  0.465739D+01
      2   0.849946D+01  0.160497D+01 -0.185732D+02 -0.184941D+01  0.212605D+00
      3   0.161159D+00 -0.463374D+01  0.316237D+02 -0.755308D+01 -0.487000D+01
      4  -0.289852D+01 -0.710809D+01  0.832116D+01  0.612316D+01  0.117224D+02
      5   0.146261D+02  0.903297D+01 -0.427155D+02  0.316441D+01  0.293728D+01
      6   0.103138D+01  0.787134D+01 -0.809333D+01  0.123482D+01 -0.548655D+00
               156           157           158           159           160 
      1   0.394491D+01  0.108503D+02  0.542623D+01  0.179497D+01  0.103063D+02
      2  -0.102637D+01 -0.236159D+01  0.937759D+01  0.330535D+01 -0.413357D+01
      3  -0.291853D+01 -0.848867D+01 -0.148038D+02 -0.510032D+01 -0.617275D+01
      4   0.392170D+01  0.163883D+02  0.288406D+02  0.805644D+01  0.697256D+01
      5   0.312717D+01  0.198859D+01  0.782487D+01  0.105199D+02  0.431017D+01
      6   0.421945D+00 -0.215556D+00  0.394146D+00  0.349976D+01  0.140669D+01
               161           162           163           164           165 
      1   0.295671D+01 -0.794701D-01  0.548799D+02 -0.191620D+02  0.772537D+00
      2   0.281147D+01 -0.335260D+00 -0.263904D+02  0.867348D+01  0.776897D+00
      3  -0.576819D+01  0.414731D+00 -0.284895D+02  0.104886D+02 -0.154943D+01
      4   0.124597D+02  0.797749D+01 -0.220445D+02  0.175448D+02  0.432461D+00
      5   0.837286D+01  0.631071D+01 -0.635958D+01  0.253201D+01  0.854200D+01
      6   0.311184D+01  0.236258D+01  0.386380D+01 -0.329174D+01 -0.103786D+01
               166           167           168           169           170 
      1  -0.290914D+02  0.135912D+02  0.914990D+00  0.701956D+01 -0.848371D+00
      2   0.127734D+02 -0.216874D+01 -0.100153D+01 -0.250167D+01  0.754432D+00
      3   0.163180D+02 -0.114224D+02  0.865391D-01 -0.451790D+01  0.939382D-01
      4   0.210170D+02 -0.172859D+02  0.123839D+01 -0.141879D+01  0.325888D+01
      5   0.484074D+01 -0.397333D+00 -0.580911D+01  0.765596D+01 -0.243938D+01
      6  -0.337779D+01  0.322302D+01  0.239097D+01 -0.127940D+01  0.207549D+01
               171 
      1   0.350457D+01
      2  -0.339341D+01
      3  -0.111158D+00
      4  -0.231360D+01
      5  -0.170201D+01
      6  -0.625090D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:52:56 2021, MaxMem=  5637144576 cpu:           19544.8 elap:            2475.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30575 -19.25027 -14.47155 -10.42307 -10.35309
 Alpha  occ. eigenvalues --  -10.31433 -10.29873 -10.29643  -1.20546  -1.12210
 Alpha  occ. eigenvalues --   -1.02618  -0.91104  -0.81285  -0.79958  -0.69976
 Alpha  occ. eigenvalues --   -0.67642  -0.63831  -0.60833  -0.57325  -0.54949
 Alpha  occ. eigenvalues --   -0.54538  -0.52616  -0.50529  -0.50054  -0.48166
 Alpha  occ. eigenvalues --   -0.46069  -0.43708  -0.42998  -0.42701  -0.39841
 Alpha  occ. eigenvalues --   -0.38734  -0.34326
 Alpha virt. eigenvalues --    0.02381   0.04149   0.04254   0.05098   0.06338
 Alpha virt. eigenvalues --    0.06558   0.07103   0.07231   0.07817   0.08416
 Alpha virt. eigenvalues --    0.09227   0.09841   0.11304   0.12091   0.12542
 Alpha virt. eigenvalues --    0.14007   0.14231   0.14555   0.14886   0.15394
 Alpha virt. eigenvalues --    0.15474   0.16340   0.16637   0.17231   0.18003
 Alpha virt. eigenvalues --    0.18729   0.19178   0.19329   0.19858   0.20143
 Alpha virt. eigenvalues --    0.20642   0.21187   0.21775   0.23513   0.24278
 Alpha virt. eigenvalues --    0.24961   0.25689   0.26383   0.27057   0.27926
 Alpha virt. eigenvalues --    0.28265   0.28647   0.29482   0.30085   0.30464
 Alpha virt. eigenvalues --    0.31355   0.32464   0.33064   0.33437   0.34626
 Alpha virt. eigenvalues --    0.35266   0.35453   0.35866   0.37112   0.38077
 Alpha virt. eigenvalues --    0.38982   0.39183   0.40239   0.41062   0.41834
 Alpha virt. eigenvalues --    0.42623   0.43365   0.43962   0.44363   0.44754
 Alpha virt. eigenvalues --    0.45382   0.46187   0.46696   0.47287   0.48083
 Alpha virt. eigenvalues --    0.50059   0.50655   0.51067   0.51387   0.52581
 Alpha virt. eigenvalues --    0.53370   0.54170   0.54948   0.55140   0.56154
 Alpha virt. eigenvalues --    0.57386   0.57889   0.58766   0.58940   0.59936
 Alpha virt. eigenvalues --    0.61259   0.62088   0.62308   0.63017   0.65284
 Alpha virt. eigenvalues --    0.65550   0.66996   0.67913   0.68186   0.68636
 Alpha virt. eigenvalues --    0.69573   0.70290   0.71288   0.71573   0.73310
 Alpha virt. eigenvalues --    0.74053   0.74829   0.75740   0.76603   0.77596
 Alpha virt. eigenvalues --    0.77864   0.79589   0.80493   0.80919   0.82113
 Alpha virt. eigenvalues --    0.82423   0.83240   0.84327   0.86751   0.87111
 Alpha virt. eigenvalues --    0.87935   0.89179   0.89923   0.91020   0.91286
 Alpha virt. eigenvalues --    0.93455   0.94808   0.96104   0.97337   0.98954
 Alpha virt. eigenvalues --    1.01179   1.02627   1.03498   1.05573   1.07168
 Alpha virt. eigenvalues --    1.07821   1.09928   1.10431   1.11800   1.13246
 Alpha virt. eigenvalues --    1.14883   1.16200   1.17923   1.19144   1.20422
 Alpha virt. eigenvalues --    1.21470   1.23047   1.23862   1.25038   1.29471
 Alpha virt. eigenvalues --    1.30650   1.31138   1.33966   1.37264   1.38462
 Alpha virt. eigenvalues --    1.40785   1.41837   1.42778   1.46014   1.46589
 Alpha virt. eigenvalues --    1.49013   1.50123   1.53457   1.55099   1.56889
 Alpha virt. eigenvalues --    1.60720   1.61823   1.62445   1.63477   1.66071
 Alpha virt. eigenvalues --    1.68780   1.68986   1.71295   1.74087   1.75269
 Alpha virt. eigenvalues --    1.75699   1.77273   1.80580   1.81157   1.83821
 Alpha virt. eigenvalues --    1.87065   1.88106   1.88418   1.89671   1.92623
 Alpha virt. eigenvalues --    1.93062   1.93479   1.94327   1.97547   1.99177
 Alpha virt. eigenvalues --    2.00707   2.02434   2.04947   2.05729   2.08425
 Alpha virt. eigenvalues --    2.08988   2.11280   2.13384   2.13975   2.16547
 Alpha virt. eigenvalues --    2.17448   2.19830   2.21187   2.22625   2.23593
 Alpha virt. eigenvalues --    2.25229   2.26571   2.28512   2.30903   2.31984
 Alpha virt. eigenvalues --    2.35512   2.36932   2.38709   2.39340   2.41284
 Alpha virt. eigenvalues --    2.42163   2.44132   2.47018   2.48957   2.53021
 Alpha virt. eigenvalues --    2.55215   2.59040   2.60763   2.61372   2.62195
 Alpha virt. eigenvalues --    2.65107   2.69010   2.71234   2.72567   2.76483
 Alpha virt. eigenvalues --    2.76698   2.78570   2.83858   2.85837   2.88432
 Alpha virt. eigenvalues --    2.94057   3.00270   3.04772   3.08100   3.11701
 Alpha virt. eigenvalues --    3.16755   3.23138   3.34503   3.39355   3.46398
 Alpha virt. eigenvalues --    3.48531   3.50968   3.52000   3.54249   3.56222
 Alpha virt. eigenvalues --    3.60232   3.66068   3.72720   3.86656   3.97036
 Alpha virt. eigenvalues --    4.09218
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.861639   0.080125   0.074116  -0.168441   0.018185  -0.271505
     2  C    0.080125   7.626174  -0.754788   0.144907  -0.062325  -0.046696
     3  C    0.074116  -0.754788   8.157082  -1.027384   0.302913  -0.300165
     4  C   -0.168441   0.144907  -1.027384   6.449329  -0.289712  -0.015086
     5  O    0.018185  -0.062325   0.302913  -0.289712   8.407221   0.011604
     6  C   -0.271505  -0.046696  -0.300165  -0.015086   0.011604   4.720338
     7  N   -0.007925  -0.028465  -0.262897   0.065516  -0.078785  -0.048441
     8  O    0.008672  -0.025394   0.013328   0.271584  -0.087888   0.023963
     9  H   -0.088961   0.304049  -0.731292  -0.117194  -0.001239   0.121057
    10  H   -0.119519  -1.192400   0.259826  -0.146419   0.007257   0.149019
    11  H   -0.009933   0.032498  -0.152856  -0.014949   0.249874  -0.012811
    12  H    0.001392  -0.066173  -0.142368   0.037917  -0.005855   0.013092
    13  H   -0.002607  -0.003535   0.149830  -0.029837   0.003055  -0.005537
    14  H   -0.083965   0.290886  -0.132793  -0.001108   0.000809   0.185711
    15  H    0.100489   0.031080   0.036482  -0.017607   0.000512   0.136048
    16  H   -0.115471  -0.138537  -0.065435   0.064222  -0.000367   0.317561
    17  H    0.123787   0.222502  -0.151719   0.031277   0.000162   0.000578
    18  H    0.368019  -0.117513   0.045842  -0.013164   0.001719  -0.142559
    19  H    0.115539   0.165219   0.058640  -0.019897   0.000275   0.037289
               7          8          9         10         11         12
     1  C   -0.007925   0.008672  -0.088961  -0.119519  -0.009933   0.001392
     2  C   -0.028465  -0.025394   0.304049  -1.192400   0.032498  -0.066173
     3  C   -0.262897   0.013328  -0.731292   0.259826  -0.152856  -0.142368
     4  C    0.065516   0.271584  -0.117194  -0.146419  -0.014949   0.037917
     5  O   -0.078785  -0.087888  -0.001239   0.007257   0.249874  -0.005855
     6  C   -0.048441   0.023963   0.121057   0.149019  -0.012811   0.013092
     7  N    6.920429  -0.015180   0.064105   0.046041   0.080217   0.407700
     8  O   -0.015180   8.317680   0.012366   0.007575   0.017260   0.002917
     9  H    0.064105   0.012366   1.857757  -0.032546   0.005649   0.029692
    10  H    0.046041   0.007575  -0.032546   2.653440   0.004983  -0.006410
    11  H    0.080217   0.017260   0.005649   0.004983   0.615297  -0.008754
    12  H    0.407700   0.002917   0.029692  -0.006410  -0.008754   0.855509
    13  H    0.273163   0.000255  -0.100503  -0.003050  -0.005498  -0.157812
    14  H    0.022335   0.016516   0.019420  -0.044924  -0.001166  -0.014803
    15  H    0.012187   0.007737   0.000427  -0.087866   0.001187   0.000590
    16  H   -0.048549  -0.007208   0.006612   0.114469  -0.003462   0.023065
    17  H    0.037258  -0.000770  -0.014331  -0.071783  -0.000222   0.009310
    18  H    0.018584  -0.000509  -0.031145   0.118384   0.000843  -0.007435
    19  H   -0.029880   0.001286   0.015177  -0.102898  -0.000979  -0.008273
              13         14         15         16         17         18
     1  C   -0.002607  -0.083965   0.100489  -0.115471   0.123787   0.368019
     2  C   -0.003535   0.290886   0.031080  -0.138537   0.222502  -0.117513
     3  C    0.149830  -0.132793   0.036482  -0.065435  -0.151719   0.045842
     4  C   -0.029837  -0.001108  -0.017607   0.064222   0.031277  -0.013164
     5  O    0.003055   0.000809   0.000512  -0.000367   0.000162   0.001719
     6  C   -0.005537   0.185711   0.136048   0.317561   0.000578  -0.142559
     7  N    0.273163   0.022335   0.012187  -0.048549   0.037258   0.018584
     8  O    0.000255   0.016516   0.007737  -0.007208  -0.000770  -0.000509
     9  H   -0.100503   0.019420   0.000427   0.006612  -0.014331  -0.031145
    10  H   -0.003050  -0.044924  -0.087866   0.114469  -0.071783   0.118384
    11  H   -0.005498  -0.001166   0.001187  -0.003462  -0.000222   0.000843
    12  H   -0.157812  -0.014803   0.000590   0.023065   0.009310  -0.007435
    13  H    0.843388   0.001571  -0.000009  -0.005304  -0.000938  -0.006410
    14  H    0.001571   1.607349  -0.377415  -0.282481  -0.016418   0.000745
    15  H   -0.000009  -0.377415   1.753003  -0.392441   0.026352  -0.014892
    16  H   -0.005304  -0.282481  -0.392441   1.786404  -0.001238  -0.011215
    17  H   -0.000938  -0.016418   0.026352  -0.001238   1.662249  -0.324246
    18  H   -0.006410   0.000745  -0.014892  -0.011215  -0.324246   1.648972
    19  H    0.002805   0.012240  -0.004117  -0.012665  -0.349609  -0.376565
              19
     1  C    0.115539
     2  C    0.165219
     3  C    0.058640
     4  C   -0.019897
     5  O    0.000275
     6  C    0.037289
     7  N   -0.029880
     8  O    0.001286
     9  H    0.015177
    10  H   -0.102898
    11  H   -0.000979
    12  H   -0.008273
    13  H    0.002805
    14  H    0.012240
    15  H   -0.004117
    16  H   -0.012665
    17  H   -0.349609
    18  H   -0.376565
    19  H    1.660723
 Mulliken charges:
               1
     1  C    1.116365
     2  C   -0.461614
     3  C    0.623639
     4  C    0.796047
     5  O   -0.477413
     6  C    1.126543
     7  N   -0.427411
     8  O   -0.564191
     9  H   -0.319100
    10  H   -0.553180
    11  H    0.202823
    12  H    0.036701
    13  H    0.046975
    14  H   -0.202507
    15  H   -0.211748
    16  H   -0.227960
    17  H   -0.182201
    18  H   -0.157455
    19  H   -0.164312
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.612397
     2  C   -1.014794
     3  C    0.304539
     4  C    0.796047
     5  O   -0.274590
     6  C    0.484328
     7  N   -0.343735
     8  O   -0.564191
 Electronic spatial extent (au):  <R**2>=           1054.9229
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              4.0123    Y=              3.4476    Z=              0.4055  Tot=              5.3055
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.2375   YY=            -49.9104   ZZ=            -47.8925
   XY=             -3.8331   XZ=             -0.3759   YZ=             -1.7281
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.5574   YY=              1.7697   ZZ=              3.7876
   XY=             -3.8331   XZ=             -0.3759   YZ=             -1.7281
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.3200  YYY=             16.2297  ZZZ=             -1.3721  XYY=              6.3562
  XXY=              5.9215  XXZ=              0.5885  XZZ=             -3.1922  YZZ=              4.7212
  YYZ=              3.1913  XYZ=              2.6959
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -861.1167 YYYY=           -329.7908 ZZZZ=           -211.3783 XXXY=            -21.1178
 XXXZ=              2.8878 YYYX=             -3.3660 YYYZ=             -3.8940 ZZZX=             -1.3472
 ZZZY=              5.3727 XXYY=           -193.4121 XXZZ=           -172.4765 YYZZ=            -89.1098
 XXYZ=             -0.5155 YYXZ=             -4.5771 ZZXY=              0.4146
 N-N= 4.085254813963D+02 E-N=-1.756092902669D+03  KE= 3.998049458722D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:52:57 2021, MaxMem=  5637144576 cpu:               6.9 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.54786413D+00 1.36513306D+00 1.64282711D-01
 Polarizability= 8.07011080D+01-4.57700373D-03 7.52912426D+01
                -1.85131322D+00 1.27549900D+00 6.61927954D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.0007    0.9982        0.0440    0.0426
 2     -1.0007   -0.9982       -0.7113   -0.7132       -2.8990   -2.8964
 3     -0.0440   -0.0426        7.7968    7.7946        0.7128    0.7132
 4      0.7113    0.7132       -0.0000    0.0000       -0.0434   -0.0426
 5     -4.8977   -4.8981        0.0434    0.0426        1.0011    0.9982
 6     -0.7128   -0.7132       -1.0011   -0.9982        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.9947   -2.9947        0.1278    0.1278
 2      2.1395    2.1395       -0.0000    0.0000        0.1278    0.1278
 3      2.1395    2.1395       -2.9947   -2.9947       -0.0000    0.0000
 4     -2.9947   -2.9947       -2.1395   -2.1395       -8.6893   -8.6893
 5     -0.1278   -0.1278       23.3837   23.3837        2.1395    2.1395
 6    -14.6944  -14.6944        0.1278    0.1278        2.9947    2.9947
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.5927    0.0000       -4.4283   -3.9930        0.5394   -0.1704
 2      5.3692    3.9930        3.2191    2.8526       10.5434   11.5857
 3     -0.3627    0.1704      -31.4816  -31.1783       -2.2738   -2.8526
 4     -3.4024   -2.8526       -0.1658    0.0000        0.9376    0.1704
 5     20.0997   19.5926       -0.0909   -0.1704       -4.8955   -3.9930
 6      2.6508    2.8526        4.0094    3.9930        0.3037    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.8864    0.0000        7.9942    7.4537       -4.3398   -2.2684
 2     -8.3002   -7.4537       16.4944   16.8978       18.5314   17.2555
 3      1.2911    2.2684       15.9140   16.2073      -17.2854  -16.8978
 4    -18.1437  -16.8978       -0.3766    0.0000        3.4025    2.2684
 5    -31.6353  -33.4628       -1.1744   -2.2684        4.8373    7.4537
 6     16.3065   16.8978       -7.4481   -7.4537        0.8411    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -9.4166  -10.3404        4.1949    3.8573       -2.6148   -2.0732
 2    -35.8376  -37.0469        7.3310    7.1271       -3.3911   -2.0732
 3    -36.9491  -37.0469        3.7405    3.8573       -2.3104   -2.2432
 4     -4.2743   -3.2697       26.3989   26.7065       21.3383   20.1731
 5     -1.0122   -0.1699       31.8554   32.0281      -26.9108  -26.7065
 6    -50.3144  -52.2012        1.3821    0.1699        0.6581    3.2697
 Full mass-weighted force constant matrix:
 Low frequencies ---  -10.6347   -7.7866   -0.0011    0.0003    0.0004    3.9761
 Low frequencies ---   56.7213   83.2177  184.4170
 Diagonal vibrational polarizability:
       22.1512913      14.3772525      19.8281115
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     56.6886                83.2172               184.4165
 Red. masses --      4.8505                 2.7862                 3.4542
 Frc consts  --      0.0092                 0.0114                 0.0692
 IR Inten    --      0.6144                 3.1886                 7.5720
 RamAct Fr= 1--      0.9760                 0.5419                 0.5066
  Dep-P Fr= 1--      0.7322                 0.7436                 0.6570
  Dep-U Fr= 1--      0.8454                 0.8529                 0.7930
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0008
 Beta2  Fr= 1--      0.1375                 0.0770                 0.0670
 AlphaG Fr= 1--     -0.0013                -0.0005                 0.0021
 Gamma2 Fr= 1--      0.1842                 0.3330                 0.2647
 Delta2 Fr= 1--      0.0832                 0.2136                 0.0427
 Raman1 Fr= 1--       3.904                  2.168                  2.026
 ROA1   Fr= 1--      20.344                 38.805                 26.779
 CID1   Fr= 1--       5.211                 17.901                 13.216
 Raman2 Fr= 1--       1.650                  0.924                  0.803
 ROA2   Fr= 1--       3.755                  6.284                  6.012
 CID2   Fr= 1--       2.276                  6.797                  7.482
 Raman3 Fr= 1--       3.300                  1.849                  1.607
 ROA3   Fr= 1--      20.344                 38.805                 26.779
 CID3   Fr= 1--       6.164                 20.987                 16.665
 RC180  Fr= 1--       0.691                  0.706                  0.586
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06   0.05    -0.03  -0.14  -0.15     0.03  -0.15  -0.03
     2   6    -0.02   0.00   0.04    -0.01  -0.01   0.06    -0.07   0.05  -0.07
     3   6    -0.00  -0.00  -0.07     0.00   0.02   0.07    -0.01   0.14  -0.04
     4   6     0.01  -0.01  -0.03    -0.01   0.00  -0.04     0.07   0.02   0.01
     5   8     0.13  -0.13   0.31    -0.05  -0.02  -0.07     0.00  -0.09   0.03
     6   6    -0.10   0.12   0.08     0.12   0.16   0.10    -0.21   0.01  -0.07
     7   7     0.01   0.03  -0.13    -0.03  -0.03   0.15    -0.04   0.09   0.04
     8   8    -0.06   0.06  -0.26     0.01   0.02  -0.12     0.23  -0.02   0.09
     9   1     0.03  -0.09  -0.09     0.04   0.08   0.09    -0.03   0.20  -0.03
    10   1    -0.01  -0.04   0.11    -0.12  -0.06   0.18    -0.18   0.08  -0.08
    11   1     0.15  -0.15   0.34    -0.05  -0.04   0.02    -0.11  -0.03   0.01
    12   1     0.27   0.16  -0.26    -0.07  -0.09   0.17    -0.10   0.02   0.07
    13   1    -0.27   0.08  -0.30    -0.01   0.01   0.22     0.01   0.12   0.12
    14   1    -0.12   0.16   0.08     0.08   0.36   0.28    -0.35   0.28  -0.09
    15   1    -0.12   0.11   0.17     0.02   0.04   0.08    -0.43  -0.25  -0.06
    16   1    -0.11   0.16   0.03     0.35   0.21  -0.04     0.05  -0.06  -0.07
    17   1     0.07  -0.16   0.03    -0.10  -0.33  -0.19     0.12  -0.21  -0.05
    18   1    -0.01  -0.01  -0.03     0.04  -0.04  -0.34     0.13  -0.15  -0.07
    19   1    -0.00  -0.05   0.16    -0.04  -0.13  -0.09    -0.08  -0.27   0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    223.9321               246.5923               270.7235
 Red. masses --      1.1411                 1.0783                 1.9389
 Frc consts  --      0.0337                 0.0386                 0.0837
 IR Inten    --      0.8081                 0.2752                 4.9524
 RamAct Fr= 1--      0.0617                 0.1855                 1.1078
  Dep-P Fr= 1--      0.7448                 0.3131                 0.2982
  Dep-U Fr= 1--      0.8537                 0.4768                 0.4594
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0114
 Beta2  Fr= 1--      0.0088                 0.0147                 0.0848
 AlphaG Fr= 1--      0.0001                -0.0032                -0.0006
 Gamma2 Fr= 1--      0.0192                -0.0255                -0.1712
 Delta2 Fr= 1--      0.0171                -0.0292                -0.0276
 Raman1 Fr= 1--       0.247                  0.742                  4.431
 ROA1   Fr= 1--       2.388                 -3.380                -17.313
 CID1   Fr= 1--       9.671                 -4.555                 -3.907
 Raman2 Fr= 1--       0.105                  0.177                  1.018
 ROA2   Fr= 1--       0.323                 -0.377                 -3.887
 CID2   Fr= 1--       3.065                 -2.132                 -3.820
 Raman3 Fr= 1--       0.211                  0.354                  2.036
 ROA3   Fr= 1--       2.388                 -3.380                -17.313
 CID3   Fr= 1--      11.328                 -9.553                 -8.506
 RC180  Fr= 1--       0.707                 -0.046                 -0.081
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.03     0.01   0.01   0.04     0.02   0.04  -0.00
     2   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.01  -0.00  -0.07
     3   6     0.00  -0.02  -0.02    -0.01  -0.01  -0.00     0.01  -0.03  -0.07
     4   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.02  -0.03
     5   8     0.02   0.02   0.00    -0.01  -0.00   0.00     0.07   0.02   0.03
     6   6    -0.00  -0.01  -0.02     0.04   0.01   0.00    -0.11   0.15  -0.02
     7   7     0.01  -0.04   0.01    -0.01   0.01  -0.03     0.04  -0.11   0.06
     8   8    -0.04  -0.01   0.02    -0.02  -0.01  -0.01    -0.06  -0.03   0.03
     9   1    -0.01  -0.00  -0.02    -0.00  -0.03  -0.01    -0.01   0.07  -0.05
    10   1     0.05  -0.00  -0.03     0.01   0.01  -0.00     0.08  -0.04  -0.02
    11   1     0.05   0.01  -0.00    -0.01  -0.00  -0.01     0.08   0.03  -0.07
    12   1     0.01  -0.07   0.01    -0.03   0.02  -0.02    -0.29  -0.36   0.21
    13   1     0.02  -0.03   0.03     0.01  -0.01  -0.04     0.43  -0.17   0.33
    14   1    -0.14   0.33   0.08    -0.08   0.35   0.15    -0.11   0.13  -0.07
    15   1    -0.25  -0.30  -0.08    -0.20  -0.29  -0.09    -0.08   0.23   0.17
    16   1     0.37  -0.07  -0.06     0.45  -0.04  -0.06    -0.23   0.24  -0.10
    17   1     0.16  -0.27  -0.06    -0.09   0.40   0.13     0.01   0.20   0.04
    18   1    -0.27   0.27  -0.21     0.20  -0.21   0.33     0.05  -0.06   0.14
    19   1     0.09   0.26   0.41    -0.05  -0.14  -0.31     0.01  -0.00  -0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    292.1084               311.5377               363.4823
 Red. masses --      1.4215                 2.8254                 3.3522
 Frc consts  --      0.0715                 0.1616                 0.2609
 IR Inten    --     13.1367                 7.1082                 9.8872
 RamAct Fr= 1--      1.5127                 0.9025                 0.5197
  Dep-P Fr= 1--      0.2370                 0.3431                 0.5529
  Dep-U Fr= 1--      0.3832                 0.5109                 0.7121
 Alpha2 Fr= 1--      0.0186                 0.0081                 0.0020
 Beta2  Fr= 1--      0.0966                 0.0769                 0.0617
 AlphaG Fr= 1--      0.0145                -0.0034                 0.0019
 Gamma2 Fr= 1--     -0.6862                 0.2900                 0.0623
 Delta2 Fr= 1--     -0.2469                 0.0159                 0.0738
 Raman1 Fr= 1--       6.051                  3.610                  2.079
 ROA1   Fr= 1--     -73.777                 28.348                  8.346
 CID1   Fr= 1--     -12.193                  7.853                  4.015
 Raman2 Fr= 1--       1.159                  0.922                  0.740
 ROA2   Fr= 1--     -14.494                  6.832                  0.905
 CID2   Fr= 1--     -12.501                  7.408                  1.223
 Raman3 Fr= 1--       2.319                  1.844                  1.480
 ROA3   Fr= 1--     -73.777                 28.348                  8.346
 CID3   Fr= 1--     -31.817                 15.370                  5.638
 RC180  Fr= 1--      -0.234                  0.022                  0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.02     0.22  -0.11   0.08    -0.05   0.02  -0.10
     2   6    -0.00   0.01  -0.02     0.06   0.07  -0.07     0.02   0.01   0.08
     3   6     0.00  -0.01  -0.00    -0.01   0.03  -0.03     0.04  -0.03  -0.01
     4   6     0.00  -0.02  -0.00    -0.05  -0.02  -0.00     0.07  -0.01  -0.04
     5   8     0.02   0.03  -0.06     0.00   0.03   0.00     0.24   0.12  -0.01
     6   6    -0.07   0.05  -0.00     0.08   0.05  -0.09    -0.05  -0.09   0.07
     7   7     0.06  -0.06   0.10    -0.17  -0.01   0.05    -0.25  -0.02   0.01
     8   8    -0.00  -0.03   0.03    -0.12  -0.02   0.04     0.00  -0.02   0.01
     9   1    -0.02   0.02   0.01    -0.05   0.08  -0.02     0.15  -0.01  -0.00
    10   1     0.01  -0.00  -0.00     0.04   0.08  -0.09    -0.01   0.02   0.08
    11   1     0.15  -0.07   0.15     0.09  -0.01   0.03     0.43   0.08  -0.14
    12   1     0.66   0.06  -0.20    -0.04   0.04  -0.01    -0.36   0.05   0.07
    13   1    -0.56   0.14  -0.17    -0.42   0.13   0.03    -0.33   0.09   0.09
    14   1    -0.10   0.09  -0.04     0.13  -0.04  -0.09    -0.11  -0.06  -0.04
    15   1    -0.10   0.02   0.06     0.15   0.13  -0.10    -0.12  -0.18   0.05
    16   1    -0.07   0.05  -0.01     0.00   0.06  -0.08    -0.03  -0.17   0.17
    17   1    -0.07   0.12   0.00     0.49  -0.16   0.05    -0.29   0.01  -0.09
    18   1     0.02  -0.02   0.04     0.29  -0.13   0.09     0.02   0.04  -0.16
    19   1    -0.01   0.01  -0.12     0.06  -0.26   0.28     0.00   0.05  -0.28
                     10                     11                     12
                      A                      A                      A
 Frequencies --    413.8798               520.2719               545.0772
 Red. masses --      2.7281                 4.4491                 3.9565
 Frc consts  --      0.2753                 0.7095                 0.6926
 IR Inten    --      1.5002                 1.9851                 2.9371
 RamAct Fr= 1--      2.4645                 1.8799                 2.1301
  Dep-P Fr= 1--      0.0714                 0.5993                 0.5568
  Dep-U Fr= 1--      0.1333                 0.7495                 0.7153
 Alpha2 Fr= 1--      0.0463                 0.0052                 0.0078
 Beta2  Fr= 1--      0.0547                 0.2348                 0.2539
 AlphaG Fr= 1--     -0.0168                -0.0083                 0.0180
 Gamma2 Fr= 1--     -0.3345                 0.7706                -0.6824
 Delta2 Fr= 1--     -0.0657                 0.0277                 0.0929
 Raman1 Fr= 1--       9.858                  7.520                  8.520
 ROA1   Fr= 1--     -34.220                 74.866                -62.534
 CID1   Fr= 1--      -3.471                  9.956                 -7.339
 Raman2 Fr= 1--       0.657                  2.818                  3.047
 ROA2   Fr= 1--      -7.503                 18.273                -17.120
 CID2   Fr= 1--     -11.424                  6.485                 -5.618
 Raman3 Fr= 1--       1.314                  5.636                  6.094
 ROA3   Fr= 1--     -34.220                 74.866                -62.534
 CID3   Fr= 1--     -26.051                 13.284                -10.261
 RC180  Fr= 1--      -0.733                  0.499                  0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.16   0.05  -0.14     0.05   0.00  -0.01    -0.07  -0.03   0.04
     2   6     0.16   0.08   0.05     0.09  -0.19  -0.10    -0.06  -0.02  -0.08
     3   6     0.05  -0.02   0.10    -0.01  -0.16   0.11    -0.00  -0.01   0.24
     4   6    -0.01  -0.05   0.07     0.02   0.08   0.20     0.07  -0.17   0.16
     5   8    -0.09  -0.05  -0.01    -0.11   0.11   0.03     0.14   0.02  -0.09
     6   6    -0.12  -0.04   0.04    -0.04   0.04  -0.06    -0.03   0.06  -0.13
     7   7     0.03   0.05  -0.02    -0.14  -0.13  -0.05     0.04   0.18   0.02
     8   8    -0.11  -0.00  -0.02     0.19   0.15  -0.08    -0.08  -0.09  -0.10
     9   1    -0.02  -0.07   0.09    -0.20  -0.24   0.09    -0.23  -0.01   0.24
    10   1     0.18   0.09   0.02     0.12  -0.17  -0.12    -0.18   0.04  -0.14
    11   1    -0.17  -0.02  -0.00    -0.05   0.09   0.05     0.22   0.00  -0.18
    12   1    -0.06   0.13   0.03    -0.18   0.09  -0.01    -0.13   0.42   0.12
    13   1     0.14  -0.04  -0.06    -0.28  -0.10  -0.13     0.21  -0.05  -0.16
    14   1    -0.29   0.08  -0.27    -0.13   0.21  -0.07    -0.02   0.11  -0.03
    15   1    -0.29  -0.21   0.20    -0.10   0.04   0.29    -0.01   0.11  -0.01
    16   1    -0.17  -0.14   0.19    -0.11   0.22  -0.28    -0.05   0.18  -0.28
    17   1    -0.03  -0.06  -0.16     0.09   0.12   0.01     0.08   0.02   0.05
    18   1     0.32   0.10  -0.28    -0.15  -0.02   0.11    -0.18  -0.05   0.13
    19   1     0.15   0.01  -0.26     0.16   0.13  -0.02    -0.07  -0.01   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    608.0886               734.0025               810.7170
 Red. masses --      2.6355                 6.0022                 2.4912
 Frc consts  --      0.5742                 1.9053                 0.9647
 IR Inten    --      9.9354                 8.8088                35.9143
 RamAct Fr= 1--      1.8624                 8.9121                 2.6153
  Dep-P Fr= 1--      0.1362                 0.0303                 0.0913
  Dep-U Fr= 1--      0.2398                 0.0588                 0.1674
 Alpha2 Fr= 1--      0.0298                 0.1845                 0.0468
 Beta2  Fr= 1--      0.0744                 0.0874                 0.0730
 AlphaG Fr= 1--      0.0168                 0.0193                -0.0501
 Gamma2 Fr= 1--      0.1810                -0.7340                -0.5592
 Delta2 Fr= 1--      0.1876                -0.1466                -0.1430
 Raman1 Fr= 1--       7.450                 35.648                 10.461
 ROA1   Fr= 1--      23.382                -75.158                -58.255
 CID1   Fr= 1--       3.139                 -2.108                 -5.569
 Raman2 Fr= 1--       0.893                  1.048                  0.876
 ROA2   Fr= 1--       2.844                -16.443                -12.276
 CID2   Fr= 1--       3.185                -15.686                -14.021
 Raman3 Fr= 1--       1.786                  2.096                  1.751
 ROA3   Fr= 1--      23.382                -75.158                -58.255
 CID3   Fr= 1--      13.090                -35.850                -33.269
 RC180  Fr= 1--      -0.520                 -0.882                 -0.665
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.00    -0.12  -0.03   0.05     0.07   0.01  -0.04
     2   6    -0.07   0.21   0.05    -0.06   0.14   0.04    -0.01  -0.08  -0.07
     3   6    -0.14  -0.06   0.01     0.12  -0.01  -0.03    -0.10   0.05  -0.14
     4   6    -0.04  -0.06   0.10     0.32   0.06   0.22     0.07  -0.04   0.14
     5   8     0.01   0.11   0.00     0.05  -0.19  -0.14     0.03  -0.01  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.05  -0.06     0.00  -0.06   0.15
     7   7     0.03  -0.10  -0.03    -0.04  -0.18  -0.07    -0.07   0.11   0.04
     8   8     0.10  -0.03  -0.08    -0.15   0.23   0.05    -0.02   0.03  -0.02
     9   1    -0.31  -0.15  -0.01    -0.05  -0.16  -0.06    -0.38   0.04  -0.15
    10   1     0.04   0.16   0.08    -0.07   0.12   0.07    -0.03  -0.11  -0.01
    11   1     0.21   0.04  -0.02    -0.39  -0.07   0.13     0.04  -0.09   0.27
    12   1     0.13  -0.25  -0.09    -0.10  -0.19  -0.04     0.34  -0.33  -0.18
    13   1     0.23  -0.23  -0.04    -0.21  -0.00   0.05     0.33  -0.07   0.11
    14   1     0.04  -0.11  -0.05     0.04  -0.08  -0.08     0.04  -0.06   0.26
    15   1     0.01  -0.04  -0.29     0.01   0.02  -0.35     0.04  -0.01   0.16
    16   1     0.07  -0.19   0.25     0.06  -0.11   0.12     0.03  -0.01   0.09
    17   1     0.10  -0.15  -0.04    -0.11  -0.11   0.03     0.12   0.14  -0.02
    18   1     0.34   0.01  -0.12     0.04  -0.02  -0.02    -0.12  -0.01   0.06
    19   1    -0.20  -0.25   0.08    -0.23  -0.16   0.07     0.19   0.15  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.2984               876.6753               901.0411
 Red. masses --      2.1115                 1.2958                 1.8198
 Frc consts  --      0.8784                 0.5868                 0.8705
 IR Inten    --     49.1301                70.6109                59.7516
 RamAct Fr= 1--      5.6835                 1.4701                 2.9135
  Dep-P Fr= 1--      0.0282                 0.5125                 0.5394
  Dep-U Fr= 1--      0.0549                 0.6777                 0.7008
 Alpha2 Fr= 1--      0.1182                 0.0068                 0.0118
 Beta2  Fr= 1--      0.0520                 0.1661                 0.3403
 AlphaG Fr= 1--      0.0197                 0.0423                -0.0098
 Gamma2 Fr= 1--     -0.1927                -0.5158                 0.6379
 Delta2 Fr= 1--     -0.0305                -0.3473                 0.2963
 Raman1 Fr= 1--      22.734                  5.881                 11.654
 ROA1   Fr= 1--     -19.473                -60.634                 70.725
 CID1   Fr= 1--      -0.857                -10.311                  6.069
 Raman2 Fr= 1--       0.624                  1.993                  4.084
 ROA2   Fr= 1--      -4.380                 -9.602                 12.940
 CID2   Fr= 1--      -7.015                 -4.819                  3.169
 Raman3 Fr= 1--       1.249                  3.985                  8.167
 ROA3   Fr= 1--     -19.473                -60.634                 70.725
 CID3   Fr= 1--     -15.594                -15.214                  8.660
 RC180  Fr= 1--      -0.890                  0.355                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00    -0.04  -0.03   0.04     0.07   0.06  -0.07
     2   6    -0.00   0.01  -0.02     0.05   0.01   0.04    -0.10   0.01  -0.06
     3   6     0.08   0.10  -0.11     0.06  -0.00  -0.03    -0.05   0.01   0.09
     4   6    -0.02  -0.10   0.15    -0.02  -0.02   0.01    -0.01   0.04  -0.06
     5   8    -0.07   0.06   0.02    -0.04   0.04  -0.03     0.03  -0.03  -0.04
     6   6    -0.01  -0.01   0.05     0.01   0.02  -0.06    -0.03  -0.05   0.09
     7   7     0.10  -0.03  -0.04    -0.02   0.04  -0.02     0.06  -0.07  -0.06
     8   8     0.00  -0.05  -0.06     0.01  -0.03   0.00    -0.00   0.02   0.03
     9   1    -0.06   0.09  -0.11     0.08  -0.06  -0.03    -0.09   0.06   0.10
    10   1    -0.07  -0.01   0.03     0.05  -0.00   0.04    -0.15   0.06  -0.11
    11   1     0.07   0.05  -0.20     0.30  -0.28   0.82     0.19  -0.21   0.53
    12   1    -0.43   0.03   0.21    -0.09  -0.07   0.01    -0.41   0.20   0.18
    13   1    -0.46   0.50   0.27     0.15   0.03   0.11    -0.17   0.07  -0.04
    14   1     0.04  -0.07   0.09    -0.03   0.03  -0.16     0.04  -0.04   0.29
    15   1     0.02  -0.01  -0.05    -0.02  -0.01  -0.04     0.05   0.03   0.08
    16   1     0.03  -0.05   0.08    -0.02  -0.01  -0.01     0.03   0.05  -0.05
    17   1    -0.05   0.05   0.02    -0.18  -0.07   0.04     0.32   0.11  -0.07
    18   1    -0.14  -0.01   0.04    -0.04   0.00  -0.02     0.08  -0.01   0.03
    19   1     0.08   0.08  -0.04    -0.00   0.01  -0.04    -0.03  -0.04   0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    937.7901               971.2686               998.8809
 Red. masses --      1.1897                 1.4691                 2.0701
 Frc consts  --      0.6165                 0.8165                 1.2169
 IR Inten    --      1.4996                 1.6942                59.9589
 RamAct Fr= 1--      0.5530                 2.5093                 1.9959
  Dep-P Fr= 1--      0.6530                 0.7489                 0.7457
  Dep-U Fr= 1--      0.7901                 0.8564                 0.8543
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0728                 0.3582                 0.2842
 AlphaG Fr= 1--      0.0022                -0.0003                -0.0037
 Gamma2 Fr= 1--      0.2875                 0.0689                 1.2441
 Delta2 Fr= 1--      0.2763                -0.0817                 0.8681
 Raman1 Fr= 1--       2.212                 10.037                  7.984
 ROA1   Fr= 1--      36.441                  3.999                147.213
 CID1   Fr= 1--      16.474                  0.398                 18.439
 Raman2 Fr= 1--       0.874                  4.298                  3.410
 ROA2   Fr= 1--       4.690                  2.307                 22.914
 CID2   Fr= 1--       5.367                  0.537                  6.719
 Raman3 Fr= 1--       1.748                  8.596                  6.821
 ROA3   Fr= 1--      36.441                  3.999                147.213
 CID3   Fr= 1--      20.851                  0.465                 21.583
 RC180  Fr= 1--       0.580                  0.713                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04   0.06    -0.12   0.02   0.02    -0.03   0.04  -0.07
     2   6    -0.02  -0.02   0.03     0.07   0.03  -0.06    -0.07   0.05  -0.04
     3   6     0.00   0.01  -0.02    -0.03   0.01  -0.03     0.22   0.00   0.01
     4   6     0.01  -0.01   0.02     0.00   0.00   0.01     0.03  -0.05   0.02
     5   8    -0.00   0.00  -0.00     0.01  -0.01  -0.01    -0.08   0.06   0.04
     6   6    -0.05  -0.06  -0.03     0.09  -0.06   0.05    -0.03  -0.04   0.05
     7   7     0.00   0.01   0.00     0.02   0.01   0.00    -0.08  -0.02  -0.00
     8   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.04  -0.02
     9   1     0.02  -0.00  -0.02    -0.08   0.01  -0.03     0.48  -0.03   0.00
    10   1     0.18   0.13  -0.26     0.26   0.08  -0.21    -0.27   0.18  -0.18
    11   1    -0.00   0.00  -0.01     0.00  -0.00  -0.01    -0.03   0.04   0.02
    12   1     0.01  -0.02  -0.00    -0.05  -0.01   0.03     0.26  -0.10  -0.16
    13   1    -0.01   0.02   0.02    -0.06   0.10   0.06     0.22  -0.23  -0.06
    14   1     0.08   0.02   0.42    -0.12   0.18  -0.18     0.02   0.01   0.24
    15   1     0.12   0.16   0.02    -0.06  -0.11   0.56     0.05   0.06   0.09
    16   1     0.09   0.20  -0.41    -0.15   0.09  -0.06     0.01   0.07  -0.11
    17   1    -0.33  -0.25   0.01     0.11  -0.13  -0.03     0.35   0.11  -0.07
    18   1     0.34   0.16  -0.27     0.20  -0.05   0.00     0.02  -0.07   0.10
    19   1    -0.01  -0.06  -0.18    -0.42  -0.31   0.17    -0.19  -0.10   0.18
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1036.9251              1085.8003              1163.0615
 Red. masses --      1.9089                 1.5880                 1.9981
 Frc consts  --      1.2093                 1.1030                 1.5925
 IR Inten    --      6.7725                 8.3868                 2.8017
 RamAct Fr= 1--      5.1169                 4.0823                 2.5903
  Dep-P Fr= 1--      0.2898                 0.6580                 0.4370
  Dep-U Fr= 1--      0.4494                 0.7937                 0.6082
 Alpha2 Fr= 1--      0.0541                 0.0067                 0.0167
 Beta2  Fr= 1--      0.3832                 0.5401                 0.2626
 AlphaG Fr= 1--     -0.0137                -0.0117                -0.0054
 Gamma2 Fr= 1--      0.5444                 1.1043                 0.7859
 Delta2 Fr= 1--     -0.4065                 0.4482                 0.2231
 Raman1 Fr= 1--      20.468                 16.329                 10.361
 ROA1   Fr= 1--      39.255                120.357                 82.582
 CID1   Fr= 1--       1.918                  7.371                  7.970
 Raman2 Fr= 1--       4.599                  6.481                  3.151
 ROA2   Fr= 1--      16.318                 22.918                 17.076
 CID2   Fr= 1--       3.548                  3.536                  5.420
 Raman3 Fr= 1--       9.197                 12.961                  6.301
 ROA3   Fr= 1--      39.255                120.357                 82.582
 CID3   Fr= 1--       4.268                  9.286                 13.105
 RC180  Fr= 1--      -0.101                  0.587                  0.216
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.07   0.03    -0.05  -0.04   0.05    -0.03  -0.11  -0.01
     2   6     0.03   0.06   0.03     0.08   0.02  -0.13     0.08   0.16  -0.07
     3   6    -0.04   0.18   0.07     0.04   0.03   0.01     0.03  -0.13   0.03
     4   6    -0.00  -0.01  -0.00     0.04  -0.01  -0.04    -0.07   0.04  -0.04
     5   8     0.01   0.01  -0.00    -0.03   0.03   0.02     0.02  -0.03  -0.00
     6   6     0.06  -0.05  -0.02    -0.03   0.03   0.09    -0.05  -0.03   0.05
     7   7    -0.01  -0.12  -0.07    -0.02  -0.05   0.01     0.01   0.05   0.01
     8   8    -0.01  -0.02  -0.00    -0.01  -0.02  -0.00     0.01   0.03   0.02
     9   1    -0.05   0.14   0.06    -0.26   0.47   0.10    -0.18  -0.44  -0.04
    10   1    -0.38   0.25  -0.14     0.28  -0.01  -0.15     0.01   0.31  -0.28
    11   1    -0.00   0.01  -0.01    -0.05   0.02   0.08     0.07  -0.03  -0.09
    12   1     0.11  -0.22  -0.14    -0.02   0.31   0.04     0.02  -0.18  -0.01
    13   1     0.06  -0.18  -0.09     0.08  -0.32  -0.29    -0.04   0.23   0.21
    14   1    -0.09   0.17  -0.12     0.07  -0.14   0.14     0.04  -0.02   0.27
    15   1    -0.01  -0.03   0.42     0.02   0.01  -0.22     0.09   0.11  -0.01
    16   1    -0.12   0.12  -0.16     0.10  -0.11   0.23     0.09   0.03  -0.06
    17   1    -0.25   0.04   0.07    -0.23  -0.10   0.04    -0.13   0.12   0.05
    18   1    -0.23   0.02  -0.00    -0.07   0.01  -0.03    -0.40  -0.08   0.10
    19   1     0.29   0.23  -0.12    -0.00  -0.01  -0.07     0.15   0.13   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1200.1039              1204.6202              1218.4120
 Red. masses --      1.9731                 2.0581                 2.4615
 Frc consts  --      1.6743                 1.7596                 2.1529
 IR Inten    --     11.3107                 5.1388                13.8535
 RamAct Fr= 1--      0.8301                 3.5482                 4.7439
  Dep-P Fr= 1--      0.6708                 0.7430                 0.2081
  Dep-U Fr= 1--      0.8030                 0.8526                 0.3445
 Alpha2 Fr= 1--      0.0012                 0.0004                 0.0631
 Beta2  Fr= 1--      0.1111                 0.5042                 0.2724
 AlphaG Fr= 1--     -0.0066                -0.0001                 0.0105
 Gamma2 Fr= 1--     -0.7586                -0.0325                 0.4672
 Delta2 Fr= 1--     -0.0456                -0.7814                 0.4606
 Raman1 Fr= 1--       3.320                 14.193                 18.976
 ROA1   Fr= 1--     -74.286                -28.130                 59.588
 CID1   Fr= 1--     -22.373                 -1.982                  3.140
 Raman2 Fr= 1--       1.333                  6.050                  3.268
 ROA2   Fr= 1--     -17.841                  5.470                  7.528
 CID2   Fr= 1--     -13.383                  0.904                  2.303
 Raman3 Fr= 1--       2.666                 12.101                  6.537
 ROA3   Fr= 1--     -74.286                -28.130                 59.588
 CID3   Fr= 1--     -27.862                 -2.325                  9.116
 RC180  Fr= 1--       0.606                  0.705                 -0.311
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03   0.03    -0.03  -0.05  -0.08     0.06   0.00   0.06
     2   6    -0.11   0.08  -0.02     0.07   0.09   0.14    -0.11   0.01  -0.07
     3   6     0.02  -0.12  -0.14    -0.09  -0.02  -0.08    -0.03  -0.09   0.01
     4   6    -0.07   0.01   0.07     0.12  -0.03  -0.03     0.22  -0.03  -0.12
     5   8     0.01  -0.04  -0.02    -0.03   0.05   0.02    -0.06   0.10   0.06
     6   6     0.08  -0.02   0.01    -0.04  -0.08  -0.06     0.06   0.02   0.03
     7   7     0.01   0.01   0.08     0.02  -0.01   0.04     0.02   0.04   0.02
     8   8     0.02   0.05   0.00    -0.01  -0.02  -0.01    -0.02  -0.07  -0.01
     9   1     0.23   0.20  -0.07    -0.06   0.14  -0.05    -0.17  -0.36  -0.06
    10   1    -0.21   0.11  -0.04     0.22  -0.01   0.26    -0.25   0.07  -0.12
    11   1     0.18  -0.08  -0.05    -0.24   0.09   0.15    -0.48   0.20   0.24
    12   1    -0.12   0.52   0.18    -0.11   0.30   0.13    -0.07  -0.03   0.05
    13   1     0.08  -0.27  -0.26    -0.03  -0.15  -0.18    -0.11   0.16   0.09
    14   1    -0.07   0.12  -0.15    -0.01   0.07   0.20    -0.04   0.06  -0.18
    15   1    -0.05  -0.11   0.25     0.11   0.11   0.06    -0.08  -0.12   0.13
    16   1    -0.17   0.04  -0.00     0.03   0.16  -0.40    -0.13  -0.04   0.16
    17   1    -0.17   0.01   0.05     0.21   0.20  -0.03    -0.21  -0.07   0.05
    18   1    -0.06   0.08  -0.09    -0.25  -0.15   0.20     0.04   0.12  -0.15
    19   1     0.18   0.11  -0.13     0.02   0.06   0.17     0.12   0.04  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1283.0620              1354.2961              1370.4179
 Red. masses --      1.3086                 1.4808                 1.3611
 Frc consts  --      1.2693                 1.6002                 1.5061
 IR Inten    --      0.4390                 0.2728                 1.1677
 RamAct Fr= 1--      4.6906                 5.2992                 5.4027
  Dep-P Fr= 1--      0.6101                 0.6335                 0.7125
  Dep-U Fr= 1--      0.7579                 0.7756                 0.8321
 Alpha2 Fr= 1--      0.0121                 0.0112                 0.0035
 Beta2  Fr= 1--      0.5925                 0.6850                 0.7493
 AlphaG Fr= 1--     -0.0002                 0.0156                -0.0049
 Gamma2 Fr= 1--     -0.2591                -1.0907                -1.3352
 Delta2 Fr= 1--     -0.8000                -0.8450                -0.8527
 Raman1 Fr= 1--      18.762                 21.197                 21.611
 ROA1   Fr= 1--     -50.476               -131.744               -155.465
 CID1   Fr= 1--      -2.690                 -6.215                 -7.194
 Raman2 Fr= 1--       7.110                  8.220                  8.992
 ROA2   Fr= 1--       0.181                -19.416                -25.224
 CID2   Fr= 1--       0.025                 -2.362                 -2.805
 Raman3 Fr= 1--      14.219                 16.441                 17.983
 ROA3   Fr= 1--     -50.476               -131.744               -155.465
 CID3   Fr= 1--      -3.550                 -8.013                 -8.645
 RC180  Fr= 1--       0.516                  0.551                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.00     0.03  -0.05  -0.03     0.02   0.01   0.04
     2   6     0.02  -0.01  -0.03    -0.17   0.03   0.02     0.02   0.08  -0.12
     3   6    -0.14   0.02   0.01     0.06   0.01   0.05    -0.02  -0.05   0.04
     4   6     0.03  -0.02   0.05    -0.00  -0.00  -0.01    -0.00  -0.00   0.01
     5   8     0.01   0.01  -0.01    -0.00  -0.00   0.00     0.01   0.00  -0.00
     6   6    -0.01   0.04   0.02     0.04  -0.01  -0.01    -0.01  -0.05  -0.02
     7   7     0.01  -0.00  -0.00    -0.02   0.00  -0.03    -0.00   0.02  -0.03
     8   8    -0.00  -0.00  -0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     9   1     0.83  -0.09   0.00    -0.09   0.15   0.08     0.31   0.27   0.12
    10   1     0.27   0.12  -0.32     0.85  -0.13  -0.03    -0.08  -0.39   0.65
    11   1    -0.10   0.03   0.07     0.01  -0.00  -0.01    -0.08   0.03   0.03
    12   1    -0.04  -0.03   0.02     0.07  -0.13  -0.08     0.03  -0.18  -0.06
    13   1    -0.04   0.00  -0.03     0.00   0.09   0.11    -0.03   0.12   0.09
    14   1     0.04  -0.07   0.02    -0.04   0.11  -0.03     0.01   0.06   0.20
    15   1    -0.03  -0.01  -0.06    -0.03  -0.07   0.07     0.05   0.06   0.18
    16   1     0.05  -0.07   0.15    -0.15   0.02   0.01    -0.00  -0.03  -0.04
    17   1    -0.00   0.03   0.01     0.02   0.17   0.02    -0.14  -0.05   0.03
    18   1    -0.10  -0.02   0.01    -0.11  -0.00  -0.04    -0.06   0.08  -0.06
    19   1     0.06   0.04  -0.03     0.14   0.10   0.01    -0.06  -0.09  -0.07
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1402.7396              1406.8571              1413.4348
 Red. masses --      1.3086                 1.2435                 1.5704
 Frc consts  --      1.5171                 1.4501                 1.8485
 IR Inten    --      8.6364                 5.8646               418.8900
 RamAct Fr= 1--      1.6039                 0.2393                 4.1570
  Dep-P Fr= 1--      0.4604                 0.6952                 0.1931
  Dep-U Fr= 1--      0.6305                 0.8202                 0.3237
 Alpha2 Fr= 1--      0.0094                 0.0002                 0.0575
 Beta2  Fr= 1--      0.1685                 0.0327                 0.2243
 AlphaG Fr= 1--     -0.0080                 0.0003                -0.0278
 Gamma2 Fr= 1--      1.0451                -0.1938                 0.0236
 Delta2 Fr= 1--      0.3076                -0.0997                -0.0352
 Raman1 Fr= 1--       6.416                  0.957                 16.628
 ROA1   Fr= 1--     110.171                -21.798                  1.138
 CID1   Fr= 1--      17.172                -22.772                  0.068
 Raman2 Fr= 1--       2.022                  0.393                  2.691
 ROA2   Fr= 1--      22.621                 -3.854                  0.847
 CID2   Fr= 1--      11.185                 -9.817                  0.315
 Raman3 Fr= 1--       4.045                  0.785                  5.383
 ROA3   Fr= 1--     110.171                -21.798                  1.138
 CID3   Fr= 1--      27.236                -27.765                  0.211
 RC180  Fr= 1--       0.261                  0.640                 -0.353
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.03    -0.09  -0.04   0.04    -0.02  -0.01   0.01
     2   6     0.01  -0.02   0.07     0.01   0.01  -0.02     0.00   0.01  -0.01
     3   6    -0.02  -0.12   0.00    -0.01  -0.03   0.01    -0.05  -0.01   0.02
     4   6     0.02  -0.01   0.00    -0.01   0.00   0.01     0.14  -0.04  -0.06
     5   8    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.11  -0.01   0.03
     6   6     0.01   0.02   0.01     0.00  -0.03   0.09    -0.00  -0.00  -0.01
     7   7     0.01   0.03  -0.05     0.00   0.00  -0.01     0.01   0.02  -0.00
     8   8     0.00   0.01   0.00     0.00  -0.01  -0.00    -0.02   0.05   0.02
     9   1    -0.01   0.75   0.20     0.06   0.13   0.04     0.06   0.00   0.02
    10   1    -0.18   0.23  -0.29    -0.05  -0.02   0.05     0.00  -0.02   0.04
    11   1    -0.02   0.01  -0.00    -0.10   0.04   0.04     0.81  -0.30  -0.38
    12   1     0.06  -0.22  -0.10     0.02  -0.05  -0.02    -0.01  -0.08  -0.00
    13   1    -0.04   0.21   0.17    -0.01   0.06   0.06     0.01  -0.00  -0.02
    14   1    -0.01  -0.02  -0.08    -0.18   0.04  -0.34     0.01   0.01   0.04
    15   1    -0.02  -0.02  -0.07     0.12   0.03  -0.33     0.00   0.01   0.04
    16   1    -0.01   0.02  -0.00     0.04   0.23  -0.29     0.00  -0.03   0.04
    17   1    -0.10  -0.03  -0.02     0.39   0.13   0.04     0.10   0.03   0.01
    18   1    -0.09  -0.04   0.11     0.34   0.05  -0.25     0.10   0.01  -0.07
    19   1    -0.07  -0.07   0.11     0.24   0.29  -0.19     0.08   0.10  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1428.2035              1487.3043              1498.4209
 Red. masses --      1.2454                 1.0441                 1.0504
 Frc consts  --      1.4967                 1.3607                 1.3895
 IR Inten    --     10.8866                 0.3416                 3.6108
 RamAct Fr= 1--      0.6833                 6.2193                 1.4939
  Dep-P Fr= 1--      0.2527                 0.7444                 0.6895
  Dep-U Fr= 1--      0.4035                 0.8535                 0.8162
 Alpha2 Fr= 1--      0.0080                 0.0006                 0.0016
 Beta2  Fr= 1--      0.0460                 0.8847                 0.2032
 AlphaG Fr= 1--     -0.0042                 0.0072                 0.0003
 Gamma2 Fr= 1--      0.0427                 0.2330                 0.3472
 Delta2 Fr= 1--      0.1652                 0.2019                -0.0706
 Raman1 Fr= 1--       2.733                 24.877                  5.976
 ROA1   Fr= 1--       9.388                 28.827                 31.069
 CID1   Fr= 1--       3.435                  1.159                  5.199
 Raman2 Fr= 1--       0.551                 10.616                  2.439
 ROA2   Fr= 1--      -0.296                  3.976                  8.898
 CID2   Fr= 1--      -0.537                  0.374                  3.649
 Raman3 Fr= 1--       1.103                 21.233                  4.877
 ROA3   Fr= 1--       9.388                 28.827                 31.069
 CID3   Fr= 1--       8.512                  1.358                  6.370
 RC180  Fr= 1--      -0.193                  0.707                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03   0.02     0.02  -0.03  -0.00    -0.01  -0.01  -0.04
     2   6     0.01  -0.00   0.02    -0.01  -0.00   0.00     0.02   0.00  -0.03
     3   6     0.01  -0.03  -0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.02   0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.02   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.03  -0.10    -0.03   0.03   0.01     0.03   0.01   0.01
     7   7     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   8     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1    -0.07   0.14   0.03    -0.01   0.01   0.00     0.05  -0.04  -0.01
    10   1    -0.06   0.07  -0.06    -0.01  -0.02   0.03    -0.05  -0.04   0.06
    11   1    -0.13   0.05   0.06     0.01  -0.00  -0.01    -0.00  -0.00   0.00
    12   1    -0.01   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.00
    13   1    -0.02   0.04   0.02    -0.00  -0.01  -0.02     0.00   0.01   0.03
    14   1     0.20  -0.05   0.39     0.13  -0.43  -0.21     0.09  -0.02   0.17
    15   1    -0.11  -0.00   0.38    -0.12  -0.05   0.27    -0.17  -0.25  -0.18
    16   1    -0.01  -0.28   0.33     0.41   0.04  -0.16    -0.33   0.14  -0.07
    17   1     0.33   0.10   0.02    -0.12   0.45   0.12    -0.37   0.15   0.03
    18   1     0.32  -0.01  -0.16     0.00   0.19  -0.34     0.40  -0.15   0.06
    19   1     0.20   0.27  -0.10    -0.11  -0.12   0.24     0.09   0.23   0.53
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1508.9627              1512.1789              1656.6973
 Red. masses --      1.0588                 1.0417                 1.0924
 Frc consts  --      1.4204                 1.4034                 1.7666
 IR Inten    --      7.9895                11.2712                30.6669
 RamAct Fr= 1--      1.7618                 5.5477                 2.9863
  Dep-P Fr= 1--      0.6437                 0.6894                 0.4173
  Dep-U Fr= 1--      0.7833                 0.8161                 0.5889
 Alpha2 Fr= 1--      0.0034                 0.0059                 0.0208
 Beta2  Fr= 1--      0.2300                 0.7546                 0.2931
 AlphaG Fr= 1--     -0.0018                -0.0034                -0.0049
 Gamma2 Fr= 1--     -0.5545                -0.7613                -0.0482
 Delta2 Fr= 1--     -0.3480                -0.0952                -0.0168
 Raman1 Fr= 1--       7.047                 22.191                 11.945
 ROA1   Fr= 1--     -64.370                -76.136                 -5.166
 CID1   Fr= 1--      -9.134                 -3.431                 -0.432
 Raman2 Fr= 1--       2.760                  9.055                  3.517
 ROA2   Fr= 1--     -10.525                -17.511                 -1.023
 CID2   Fr= 1--      -3.814                 -1.934                 -0.291
 Raman3 Fr= 1--       5.520                 18.110                  7.034
 ROA3   Fr= 1--     -64.370                -76.136                 -5.166
 CID3   Fr= 1--     -11.662                 -4.204                 -0.734
 RC180  Fr= 1--       0.567                  0.632                  0.178
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03   0.02     0.00  -0.01  -0.02     0.00   0.00   0.00
     2   6     0.04  -0.03   0.02    -0.02  -0.02  -0.01     0.00   0.00  -0.00
     3   6    -0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.03   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01  -0.00  -0.01
     5   8     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6     0.02  -0.01  -0.01    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
     7   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.03  -0.06  -0.03
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.01   0.00  -0.01     0.01  -0.00  -0.00     0.02  -0.03  -0.01
    10   1    -0.07   0.04  -0.06    -0.01  -0.00  -0.05    -0.01  -0.00   0.01
    11   1     0.00  -0.00   0.00    -0.01   0.00   0.01     0.02  -0.01  -0.02
    12   1    -0.00   0.02   0.00    -0.02   0.01   0.02     0.30   0.63  -0.11
    13   1     0.01  -0.01   0.00    -0.01  -0.01  -0.02     0.29   0.22   0.59
    14   1    -0.08   0.33   0.22    -0.26   0.34  -0.16    -0.00  -0.01  -0.01
    15   1     0.07   0.00  -0.26     0.39   0.46   0.08     0.01   0.02   0.02
    16   1    -0.37  -0.03   0.14     0.26  -0.25   0.23     0.04  -0.02   0.01
    17   1     0.07   0.44   0.11    -0.23   0.12   0.03    -0.00  -0.01   0.00
    18   1    -0.17   0.28  -0.41     0.21  -0.06  -0.00    -0.01   0.00   0.00
    19   1    -0.20  -0.27   0.01     0.04   0.11   0.32    -0.00  -0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1835.0240              3020.2286              3024.9985
 Red. masses --      9.7076                 1.0425                 1.0395
 Frc consts  --     19.2594                 5.6028                 5.6044
 IR Inten    --    289.7659                24.7714                26.6826
 RamAct Fr= 1--     12.6725                31.6690               253.6358
  Dep-P Fr= 1--      0.3023                 0.0693                 0.0046
  Dep-U Fr= 1--      0.4643                 0.1296                 0.0091
 Alpha2 Fr= 1--      0.1291                 0.5974                 5.5763
 Beta2  Fr= 1--      0.9806                 0.6839                 0.3860
 AlphaG Fr= 1--      0.1468                 0.1317                 0.1594
 Gamma2 Fr= 1--      1.4842                 0.1921                -0.1750
 Delta2 Fr= 1--      0.4197                -0.2905                 0.4581
 Raman1 Fr= 1--      50.690                126.676               1014.543
 ROA1   Fr= 1--     155.915                  9.147                 -2.140
 CID1   Fr= 1--       3.076                  0.072                 -0.002
 Raman2 Fr= 1--      11.767                  8.207                  4.632
 ROA2   Fr= 1--      32.264                  6.935                 -7.864
 CID2   Fr= 1--       2.742                  0.845                 -1.698
 Raman3 Fr= 1--      23.534                 16.414                  9.264
 ROA3   Fr= 1--     155.915                  9.147                 -2.140
 CID3   Fr= 1--       6.625                  0.557                 -0.231
 RC180  Fr= 1--      -0.071                 -0.741                 -0.982
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.01   0.01  -0.01    -0.03  -0.03   0.01
     2   6    -0.00   0.01  -0.00     0.00   0.01   0.00     0.00   0.01   0.01
     3   6    -0.02  -0.04  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
     4   6     0.13   0.68   0.19     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8    -0.04  -0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.01  -0.02  -0.05    -0.00  -0.01  -0.02
     7   7    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.08  -0.42  -0.12     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.02   0.04   0.01    -0.00  -0.01   0.03    -0.00  -0.02   0.11
    10   1     0.06   0.01   0.01    -0.01  -0.07  -0.04    -0.02  -0.10  -0.07
    11   1     0.47  -0.11  -0.20     0.00   0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.01   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   1     0.02  -0.02  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1     0.01   0.01   0.04    -0.30  -0.16   0.10    -0.12  -0.07   0.04
    15   1    -0.01  -0.01   0.01     0.24  -0.22   0.03     0.09  -0.09   0.01
    16   1    -0.03   0.01   0.00     0.14   0.61   0.44     0.06   0.27   0.19
    17   1    -0.01  -0.00   0.00     0.02  -0.05   0.23    -0.03   0.11  -0.50
    18   1    -0.02  -0.00   0.01    -0.05  -0.23  -0.14     0.12   0.53   0.33
    19   1     0.02   0.02  -0.01    -0.14   0.12  -0.03     0.29  -0.26   0.05
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3040.3171              3059.6231              3079.7860
 Red. masses --      1.0826                 1.0838                 1.0954
 Frc consts  --      5.8959                 5.9777                 6.1215
 IR Inten    --      8.3639                 1.0313                14.2890
 RamAct Fr= 1--    106.3236                68.4689                27.2080
  Dep-P Fr= 1--      0.1431                 0.7121                 0.6252
  Dep-U Fr= 1--      0.2504                 0.8319                 0.7694
 Alpha2 Fr= 1--      1.6726                 0.0449                 0.0619
 Beta2  Fr= 1--      4.4368                 9.4929                 3.4888
 AlphaG Fr= 1--     -0.1453                -0.0987                 0.0098
 Gamma2 Fr= 1--      2.4131               -10.5547                 8.4565
 Delta2 Fr= 1--      2.1805                -6.5458                 8.5022
 Raman1 Fr= 1--     425.295                273.876                108.832
 ROA1   Fr= 1--     301.430              -1222.716               1083.899
 CID1   Fr= 1--       0.709                 -4.464                  9.959
 Raman2 Fr= 1--      53.242                113.914                 41.866
 ROA2   Fr= 1--      40.470               -200.947                134.940
 CID2   Fr= 1--       0.760                 -1.764                  3.223
 Raman3 Fr= 1--     106.483                227.829                 83.732
 ROA3   Fr= 1--     301.430              -1222.716               1083.899
 CID3   Fr= 1--       2.831                 -5.367                 12.945
 RC180  Fr= 1--      -0.499                  0.664                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01   0.02   0.03     0.00  -0.04  -0.05
     2   6     0.00   0.01   0.00    -0.01  -0.06  -0.04    -0.00  -0.01  -0.00
     3   6     0.00   0.02  -0.08     0.00   0.00  -0.01     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00   0.01     0.00   0.02  -0.00    -0.00   0.06   0.00
     7   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     8   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.02  -0.21   0.96    -0.00  -0.02   0.10     0.00  -0.00   0.02
    10   1    -0.02  -0.08  -0.05     0.13   0.70   0.44     0.02   0.08   0.05
    11   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    12   1    -0.01   0.00  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.04   0.02  -0.01    -0.17  -0.08   0.06    -0.30  -0.14   0.11
    15   1    -0.03   0.02  -0.00     0.18  -0.15   0.03     0.39  -0.32   0.07
    16   1    -0.01  -0.06  -0.04    -0.01  -0.05  -0.04    -0.07  -0.27  -0.20
    17   1     0.00  -0.01   0.05    -0.02   0.07  -0.28     0.03  -0.11   0.42
    18   1    -0.01  -0.06  -0.03    -0.05  -0.21  -0.13     0.10   0.43   0.25
    19   1    -0.05   0.04  -0.01     0.13  -0.11   0.03    -0.16   0.12  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3088.8254              3096.3625              3107.9720
 Red. masses --      1.0959                 1.0996                 1.1023
 Frc consts  --      6.1605                 6.2112                 6.2733
 IR Inten    --     38.5373                34.1554                20.3724
 RamAct Fr= 1--     68.7466                95.1255                62.1051
  Dep-P Fr= 1--      0.1736                 0.4726                 0.7453
  Dep-U Fr= 1--      0.2958                 0.6419                 0.8541
 Alpha2 Fr= 1--      1.0005                 0.5309                 0.0050
 Beta2  Fr= 1--      3.3889                10.1761                 8.8402
 AlphaG Fr= 1--     -0.0787                -0.2741                -0.0094
 Gamma2 Fr= 1--     -0.3832                 2.9854                -3.9934
 Delta2 Fr= 1--     -3.3154                 3.0831                -3.1675
 Raman1 Fr= 1--     274.987                380.502                248.420
 ROA1   Fr= 1--    -142.876                385.256               -484.731
 CID1   Fr= 1--      -0.520                  1.012                 -1.951
 Raman2 Fr= 1--      40.667                122.114                106.083
 ROA2   Fr= 1--      17.328                 46.985                -70.503
 CID2   Fr= 1--       0.426                  0.385                 -0.665
 Raman3 Fr= 1--      81.335                244.227                212.166
 ROA3   Fr= 1--    -142.876                385.256               -484.731
 CID3   Fr= 1--      -1.757                  1.577                 -2.285
 RC180  Fr= 1--      -0.408                  0.284                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.06    -0.05   0.07  -0.03    -0.00   0.01  -0.00
     2   6    -0.01  -0.03  -0.02     0.00   0.02   0.01    -0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.01   0.02   0.00    -0.09  -0.00   0.01
     7   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.06     0.00  -0.00   0.00     0.00   0.00  -0.00
    10   1     0.08   0.38   0.24    -0.03  -0.17  -0.10     0.00   0.01   0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1     0.22   0.10  -0.08    -0.14  -0.07   0.05     0.65   0.34  -0.24
    15   1    -0.32   0.27  -0.06     0.08  -0.06   0.02     0.45  -0.41   0.08
    16   1     0.07   0.27   0.21    -0.02  -0.10  -0.08    -0.00   0.08   0.06
    17   1     0.02  -0.12   0.50     0.01  -0.07   0.36     0.00  -0.01   0.03
    18   1     0.07   0.31   0.17    -0.06  -0.19  -0.13    -0.00  -0.01  -0.01
    19   1     0.11  -0.10   0.01     0.64  -0.53   0.11     0.06  -0.05   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3432.5393              3510.7421              3594.0943
 Red. masses --      1.0642                 1.0504                 1.0928
 Frc consts  --      7.3873                 7.6282                 8.3172
 IR Inten    --    250.5299                 0.5864                12.4136
 RamAct Fr= 1--     63.6905                72.3803                46.0052
  Dep-P Fr= 1--      0.0908                 0.0786                 0.5001
  Dep-U Fr= 1--      0.1664                 0.1458                 0.6668
 Alpha2 Fr= 1--      1.1405                 1.3349                 0.2271
 Beta2  Fr= 1--      1.7669                 1.7588                 5.1124
 AlphaG Fr= 1--      0.3085                -0.0422                 0.1641
 Gamma2 Fr= 1--      0.0719                 1.5919                 0.6788
 Delta2 Fr= 1--      0.5814                 0.0480                -0.2636
 Raman1 Fr= 1--     254.762                289.521                184.021
 ROA1   Fr= 1--      25.510                154.362                 56.734
 CID1   Fr= 1--       0.100                  0.533                  0.308
 Raman2 Fr= 1--      21.202                 21.105                 61.349
 ROA2   Fr= 1--      -2.925                 37.822                 18.400
 CID2   Fr= 1--      -0.138                  1.792                  0.300
 Raman3 Fr= 1--      42.405                 42.211                122.698
 ROA3   Fr= 1--      25.510                154.362                 56.734
 CID3   Fr= 1--       0.602                  3.657                  0.462
 RC180  Fr= 1--      -0.667                 -0.708                  0.334
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.05  -0.01     0.00   0.01   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   7    -0.00  -0.00  -0.00    -0.04  -0.02  -0.03    -0.01  -0.05   0.06
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1    -0.00  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00  -0.02
    10   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.35   0.91   0.20    -0.04  -0.08  -0.02    -0.01  -0.01  -0.00
    12   1     0.03  -0.01   0.06     0.35  -0.07   0.76    -0.25   0.03  -0.47
    13   1     0.03   0.04  -0.04     0.22   0.40  -0.30     0.38   0.61  -0.44
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   592.539251224.836551436.89018
           X            0.99977  -0.02100  -0.00368
           Y            0.02078   0.99844  -0.05181
           Z            0.00476   0.05173   0.99865
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14617     0.07071     0.06028
 Rotational constants (GHZ):           3.04577     1.47345     1.25600
 Zero-point vibrational energy     432526.0 (Joules/Mol)
                                  103.37620 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     81.56   119.73   265.33   322.19   354.79
          (Kelvin)            389.51   420.28   448.23   522.97   595.48
                              748.56   784.24   874.90  1056.07  1166.44
                             1209.00  1261.34  1296.40  1349.27  1397.44
                             1437.17  1491.90  1562.22  1673.39  1726.68
                             1733.18  1753.02  1846.04  1948.53  1971.73
                             2018.23  2024.15  2033.62  2054.87  2139.90
                             2155.89  2171.06  2175.69  2383.62  2640.19
                             4345.44  4352.30  4374.34  4402.12  4431.13
                             4444.13  4454.98  4471.68  4938.66  5051.17
                             5171.10
 
 Zero-point correction=                           0.164740 (Hartree/Particle)
 Thermal correction to Energy=                    0.173945
 Thermal correction to Enthalpy=                  0.174889
 Thermal correction to Gibbs Free Energy=         0.130814
 Sum of electronic and zero-point Energies=           -402.407876
 Sum of electronic and thermal Energies=              -402.398672
 Sum of electronic and thermal Enthalpies=            -402.397727
 Sum of electronic and thermal Free Energies=         -402.441803
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.152             33.640             92.764
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.435
 Vibrational            107.374             27.678             24.141
 Vibration     1          0.596              1.975              4.569
 Vibration     2          0.600              1.961              3.814
 Vibration     3          0.631              1.861              2.283
 Vibration     4          0.649              1.805              1.927
 Vibration     5          0.661              1.768              1.755
 Vibration     6          0.674              1.727              1.592
 Vibration     7          0.687              1.688              1.462
 Vibration     8          0.700              1.652              1.354
 Vibration     9          0.737              1.547              1.107
 Vibration    10          0.777              1.440              0.913
 Vibration    11          0.875              1.205              0.609
 Vibration    12          0.900              1.150              0.554
 Vibration    13          0.967              1.015              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.676033D-60        -60.170032       -138.546620
 Total V=0       0.402948D+16         15.605249         35.932415
 Vib (Bot)       0.371399D-73        -73.430160       -169.079191
 Vib (Bot)    1  0.364411D+01          0.561592          1.293113
 Vib (Bot)    2  0.247351D+01          0.393314          0.905638
 Vib (Bot)    3  0.108744D+01          0.036404          0.083822
 Vib (Bot)    4  0.881852D+00         -0.054604         -0.125731
 Vib (Bot)    5  0.792745D+00         -0.100867         -0.232254
 Vib (Bot)    6  0.713606D+00         -0.146542         -0.337424
 Vib (Bot)    7  0.653910D+00         -0.184482         -0.424786
 Vib (Bot)    8  0.606423D+00         -0.217224         -0.500178
 Vib (Bot)    9  0.503089D+00         -0.298355         -0.686988
 Vib (Bot)   10  0.426228D+00         -0.370358         -0.852782
 Vib (Bot)   11  0.310171D+00         -0.508399         -1.170631
 Vib (Bot)   12  0.289267D+00         -0.538701         -1.240405
 Vib (Bot)   13  0.243510D+00         -0.613482         -1.412595
 Vib (V=0)       0.221372D+03          2.345122          5.399843
 Vib (V=0)    1  0.417826D+01          0.620995          1.429894
 Vib (V=0)    2  0.302354D+01          0.480516          1.106428
 Vib (V=0)    3  0.169688D+01          0.229651          0.528790
 Vib (V=0)    4  0.151374D+01          0.180050          0.414581
 Vib (V=0)    5  0.143725D+01          0.157533          0.362734
 Vib (V=0)    6  0.137134D+01          0.137145          0.315788
 Vib (V=0)    7  0.132316D+01          0.121614          0.280025
 Vib (V=0)    8  0.128597D+01          0.109231          0.251513
 Vib (V=0)    9  0.120929D+01          0.082532          0.190037
 Vib (V=0)   10  0.115702D+01          0.063339          0.145844
 Vib (V=0)   11  0.108839D+01          0.036786          0.084702
 Vib (V=0)   12  0.107765D+01          0.032476          0.074779
 Vib (V=0)   13  0.105615D+01          0.023724          0.054626
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.365557D+06          5.562955         12.809177
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3  3       33333333                                         1     1 1111111111 11111  1 1                                    
     5  5  4       10000000                                         8     6 5544444433 22221  0 0999 9888  7   6 55   4 3322221      
     9  1  3       09886422                                         3     5 1098210075 81006  8 3973 0741  3   0 42   1 6197428  85  
     4  1  3       86900050                                         5     7 2987837304 38503  6 7918 1701  4   8 50   4 3221744  37  
 
     X  X  X       XXXXXXXX                                         X     X XXXXXXXXXX XXXXX  X XXXX XXXX  X   X XX   X XXXXXXX  XX  
           X        XX                                              X            X               X   XXXX                            
           X                                                        X            X               X   XX                              
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
           X                                                        X            X                                                   
                                                                    X            X                                                   
                                                                    X            X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
                                                                                 X                                                   
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000015325   -0.000004427    0.000005460
      2        6           0.000011094   -0.000005694    0.000009687
      3        6          -0.000019417   -0.000006989    0.000032086
      4        6           0.000056109    0.000002611   -0.000022541
      5        8          -0.000023973    0.000023698    0.000014541
      6        6           0.000010779    0.000014654   -0.000015470
      7        7          -0.000001345    0.000007251   -0.000005182
      8        8          -0.000013696    0.000007950    0.000012184
      9        1           0.000003608    0.000014301    0.000000578
     10        1           0.000003217   -0.000004792   -0.000010989
     11        1          -0.000002930   -0.000027696   -0.000005252
     12        1           0.000002088   -0.000010682   -0.000013350
     13        1           0.000000380   -0.000004749   -0.000001735
     14        1          -0.000000278    0.000000118    0.000001144
     15        1          -0.000007111   -0.000003138   -0.000002317
     16        1           0.000000880   -0.000000492   -0.000003591
     17        1          -0.000001770   -0.000004311    0.000003105
     18        1          -0.000000908    0.000001860   -0.000001180
     19        1          -0.000001402    0.000000528    0.000002821
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000056109 RMS     0.000013029
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862463D+02  0.851847D-01 -0.199648D+01
      2   0.851847D-01  0.804535D+02  0.142632D+01
      3  -0.199648D+01  0.142632D+01  0.706572D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.569778D+00 -0.457459D+00  0.112258D+01
      2   0.272584D+01 -0.805796D+01  0.342001D+02
      3   0.633108D+01 -0.173022D+02  0.867344D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.743619D+02 -0.812469D+01 -0.285287D+01
      2  -0.423511D+02  0.912229D+01 -0.609692D+00
      3  -0.320108D+02 -0.997600D+00  0.346257D+01
      4  -0.367959D+01  0.381752D+02 -0.212085D+02
      5   0.545858D+01 -0.231843D+02  0.752221D+02
      6  -0.914608D+01  0.753182D+01  0.177757D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.801125D+00  0.401710D+01 -0.235560D+01  0.460337D+01 -0.292052D+01
      2   0.401710D+01 -0.237067D+01 -0.103115D+01 -0.292052D+01 -0.216608D+01
      3  -0.235560D+01 -0.103115D+01  0.758473D+00 -0.952365D+00 -0.216463D+01
                 6             7             8             9            10 
      1  -0.952365D+00 -0.253390D+01 -0.621826D+00 -0.300923D+00  0.180955D+01
      2  -0.216463D+01 -0.621826D+00 -0.213088D+01 -0.304009D+01 -0.365241D+01
      3  -0.269473D+01 -0.300923D+00 -0.304009D+01  0.624744D+01  0.275515D+01
                11            12            13            14            15 
      1  -0.365241D+01  0.275515D+01 -0.483955D+01  0.167172D+01  0.107188D+01
      2   0.179747D+01  0.123765D+01  0.167172D+01  0.248150D+01  0.240731D+01
      3   0.123765D+01 -0.368029D+00  0.107188D+01  0.240731D+01  0.317055D+01
                16            17            18            19            20 
      1   0.299931D+01  0.796565D+00 -0.103906D+00 -0.754865D+00  0.349496D+01
      2   0.796565D+00  0.209044D+01  0.372317D+01  0.349496D+01 -0.944076D+00
      3  -0.103906D+00  0.372317D+01 -0.411636D+01 -0.555302D+00 -0.228912D+00
                21            22            23            24            25 
      1  -0.555302D+00  0.394437D+01  0.200718D+00  0.238173D+00 -0.814161D+00
      2  -0.228912D+00  0.200718D+00 -0.214462D+01 -0.113624D+01  0.760747D+00
      3  -0.618447D-01  0.238173D+00 -0.113624D+01 -0.119413D+01  0.224850D+00
                26            27            28            29            30 
      1   0.760747D+00  0.224850D+00 -0.201733D+01 -0.225525D+01 -0.286621D+00
      2  -0.123749D+01 -0.225011D+01 -0.225525D+01  0.178642D+00  0.718132D+00
      3  -0.225011D+01  0.552298D+01 -0.286621D+00  0.718132D+00 -0.324807D+00
                31            32            33            34            35 
      1  -0.505338D+00  0.177519D+01  0.103279D+01  0.206412D-01  0.123908D+01
      2   0.177519D+01  0.538308D+01  0.164877D+01  0.123908D+01  0.210769D+01
      3   0.103279D+01  0.164877D+01  0.814772D+00  0.329904D+00  0.869523D+00
                36            37            38            39            40 
      1   0.329904D+00 -0.799903D+01  0.129663D+01  0.147765D+01 -0.202728D+01
      2   0.869523D+00  0.129663D+01 -0.191615D+01 -0.534421D+00 -0.366914D+01
      3   0.278494D-01  0.147765D+01 -0.534421D+00 -0.108602D+01 -0.203405D+00
                41            42            43            44            45 
      1  -0.366914D+01 -0.203405D+00  0.130577D+01 -0.788922D+00 -0.199392D+01
      2  -0.153167D+01 -0.266336D+00 -0.788922D+00 -0.673682D+00  0.581503D+00
      3  -0.266336D+00 -0.390144D-01 -0.199392D+01  0.581503D+00  0.187665D+01
                46            47            48            49            50 
      1   0.511000D+00  0.468384D+01 -0.296216D+01  0.455131D+01 -0.189803D+01
      2   0.468384D+01 -0.205979D+01 -0.862446D+00 -0.189803D+01 -0.548411D+00
      3  -0.296216D+01 -0.862446D+00  0.488813D+00 -0.942610D+00 -0.292325D+01
                51            52            53            54            55 
      1  -0.942610D+00 -0.210730D+01 -0.901166D+00  0.326369D+00 -0.833069D+00
      2  -0.292325D+01 -0.901166D+00 -0.221309D+01 -0.327575D+01 -0.142033D+01
      3  -0.259103D+01  0.326369D+00 -0.327575D+01  0.269095D+01 -0.163517D+00
                56            57            58            59            60 
      1  -0.142033D+01 -0.163517D+00 -0.110529D+01 -0.282114D+01  0.167073D+00
      2  -0.250170D+01  0.346958D+00 -0.282114D+01  0.230953D+01  0.215787D+01
      3   0.346958D+00 -0.197064D+01  0.167073D+00  0.215787D+01  0.164374D+00
                61            62            63            64            65 
      1   0.914559D-01  0.435242D+00 -0.237239D+01 -0.160677D+01 -0.280789D+01
      2   0.435242D+00  0.241999D+01  0.512413D+00 -0.280789D+01 -0.185847D+01
      3  -0.237239D+01  0.512413D+00 -0.219033D+01 -0.989122D+00 -0.921335D+00
                66            67            68            69            70 
      1  -0.989122D+00 -0.409453D+01 -0.246547D+01 -0.706284D+00 -0.145814D+01
      2  -0.921335D+00 -0.246547D+01 -0.117608D+02 -0.230994D+01 -0.742179D+00
      3  -0.446478D+00 -0.706284D+00 -0.230994D+01 -0.270913D+01 -0.115875D+01
                71            72            73            74            75 
      1  -0.742179D+00 -0.115875D+01  0.259897D+00 -0.247753D+00 -0.104453D+01
      2  -0.188786D+01 -0.326668D+01 -0.247753D+00  0.113755D+00  0.248092D-01
      3  -0.326668D+01 -0.255324D+01 -0.104453D+01  0.248092D-01  0.709637D-02
                76            77            78            79            80 
      1  -0.521199D+00 -0.723217D-01  0.164881D+00 -0.182852D+01 -0.428361D-01
      2  -0.723217D-01  0.147709D+01 -0.123476D+01 -0.428361D-01 -0.168361D+01
      3   0.164881D+00 -0.123476D+01  0.127138D+01 -0.223556D+00  0.181116D+01
                81            82            83            84            85 
      1  -0.223556D+00 -0.983974D+00 -0.369650D+00 -0.110098D+01 -0.895823D+00
      2   0.181116D+01 -0.369650D+00 -0.277742D+00 -0.902729D-01 -0.387834D+00
      3  -0.788871D+01 -0.110098D+01 -0.902729D-01 -0.196930D+00 -0.213686D+00
                86            87            88            89            90 
      1  -0.387834D+00 -0.213686D+00 -0.159959D+01 -0.219003D+00 -0.212099D-01
      2  -0.555820D+01 -0.225437D+01 -0.219003D+00 -0.230681D+01 -0.224768D+01
      3  -0.225437D+01 -0.260786D+01 -0.212099D-01 -0.224768D+01 -0.209965D+01
                91            92            93            94            95 
      1   0.132967D+01  0.208236D+01  0.723998D-01  0.466029D+01  0.514555D+00
      2   0.208236D+01  0.367051D+00  0.178322D+00  0.514555D+00  0.426693D+01
      3   0.723998D-01  0.178322D+00 -0.318092D+00 -0.386409D+00  0.975464D+00
                96            97            98            99           100 
      1  -0.386409D+00  0.731362D+00 -0.529398D-01 -0.707980D+00 -0.317544D-01
      2   0.975464D+00 -0.529398D-01  0.929303D+00  0.666616D+00  0.885016D+00
      3   0.108374D+01 -0.707980D+00  0.666616D+00  0.904441D+00  0.789295D+00
               101           102           103           104           105 
      1   0.885016D+00  0.789295D+00  0.965168D+00 -0.155159D+00  0.424241D+00
      2   0.454774D+00  0.587411D+00 -0.155159D+00  0.979692D+00  0.419376D+00
      3   0.587411D+00  0.153238D+01  0.424241D+00  0.419376D+00  0.283731D+00
               106           107           108           109           110 
      1   0.206366D+01  0.219016D+00  0.174442D+01  0.107621D+01  0.158726D+01
      2   0.219016D+00  0.192956D+01  0.876486D+00  0.158726D+01  0.284958D+01
      3   0.174442D+01  0.876486D+00  0.482826D+01 -0.284891D+00 -0.558375D+00
               111           112           113           114           115 
      1  -0.284891D+00  0.242792D+01  0.244650D+01 -0.589521D+00 -0.113431D+01
      2  -0.558375D+00  0.244650D+01  0.604451D+01 -0.120829D+01 -0.985001D+00
      3   0.643292D+00 -0.589521D+00 -0.120829D+01  0.130514D+01  0.677129D+00
               116           117           118           119           120 
      1  -0.985001D+00  0.677129D+00 -0.469225D+01 -0.199977D+01  0.174318D+01
      2  -0.272691D+01  0.142914D+01 -0.199977D+01 -0.176790D+01  0.134727D+01
      3   0.142914D+01 -0.113541D+01  0.174318D+01  0.134727D+01 -0.270294D+01
               121           122           123           124           125 
      1  -0.220245D+01 -0.108798D+01  0.818584D+00  0.129589D+01  0.788108D+00
      2  -0.108798D+01 -0.205876D+01  0.151423D+01  0.788108D+00  0.111252D+01
      3   0.818584D+00  0.151423D+01 -0.120529D+01 -0.138302D+01 -0.711175D+00
               126           127           128           129           130 
      1  -0.138302D+01  0.460348D+01 -0.324579D+01  0.176558D+01 -0.322534D+01
      2  -0.711175D+00 -0.324579D+01  0.323066D+01 -0.113827D+01  0.283613D+01
      3   0.161617D+01  0.176558D+01 -0.113827D+01  0.176722D+01 -0.962132D+00
               131           132           133           134           135 
      1   0.283613D+01 -0.962132D+00  0.764474D+00 -0.497909D+00  0.977383D+00
      2  -0.404343D+01  0.177761D+01 -0.497909D+00  0.951486D+00 -0.688831D+00
      3   0.177761D+01 -0.128063D+01  0.977383D+00 -0.688831D+00  0.729899D+00
               136           137           138           139           140 
      1   0.947158D+00  0.130120D-01  0.123290D+01  0.737752D+00  0.751059D+00
      2   0.130120D-01  0.100646D+01  0.348579D+00  0.751059D+00  0.308753D+01
      3   0.123290D+01  0.348579D+00  0.104281D+01  0.692065D+00  0.200474D+01
               141           142           143           144           145 
      1   0.692065D+00  0.120419D+01  0.196232D+00  0.753863D+00  0.192982D+00
      2   0.200474D+01  0.196232D+00  0.207363D+01  0.178953D+01 -0.101844D+00
      3   0.348781D+01  0.753863D+00  0.178953D+01  0.386012D+01 -0.739426D+00
               146           147           148           149           150 
      1  -0.101844D+00 -0.739426D+00 -0.128856D-01  0.633666D+00 -0.242602D+00
      2   0.103993D+00  0.125318D+00  0.633666D+00  0.102788D+01 -0.113178D+01
      3   0.125318D+00 -0.975846D-01 -0.242602D+00 -0.113178D+01  0.169226D+01
               151           152           153           154           155 
      1  -0.204930D+01 -0.316168D+00  0.169100D+01  0.130025D+01  0.937912D+00
      2  -0.316168D+00 -0.148436D+01  0.195938D+01  0.937912D+00  0.133739D+01
      3   0.169100D+01  0.195938D+01 -0.893112D+01  0.703362D+00  0.414072D+00
               156           157           158           159           160 
      1   0.703362D+00  0.230255D+01  0.199630D+01  0.287129D+00  0.194067D+01
      2   0.414072D+00  0.199630D+01  0.506585D+01  0.144519D+01  0.834320D+00
      3   0.340961D+00  0.287129D+00  0.144519D+01  0.181338D+01  0.578313D+00
               161           162           163           164           165 
      1   0.834320D+00  0.578313D+00  0.768998D+01 -0.289739D+01 -0.573752D-01
      2   0.222793D+01  0.149937D+01 -0.289739D+01  0.225671D+01  0.366553D-01
      3   0.149937D+01  0.101805D+01 -0.573752D-01  0.366553D-01  0.992318D+00
               166           167           168           169           170 
      1  -0.476305D+01  0.265175D+01  0.302203D+00  0.110779D+01 -0.101356D+00
      2   0.265175D+01 -0.231165D+01  0.279040D+00 -0.101356D+00  0.502137D+00
      3   0.302203D+00  0.279040D+00 -0.765304D+00  0.962421D+00 -0.237966D+00
               171 
      1   0.962421D+00
      2  -0.237966D+00
      3  -0.407996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.293635D+01  0.226368D+01  0.110561D+01  0.284636D+01  0.222478D+01
      2  -0.737034D+01  0.742623D+00  0.116402D+01  0.157485D+01 -0.862944D+01
      3  -0.117696D+02  0.594110D+01  0.298855D+01  0.126411D+02  0.722685D+01
                 6             7             8             9            10 
      1   0.599774D+00  0.191177D+01  0.421797D+01  0.758455D-01  0.335598D+01
      2  -0.866313D+01 -0.633638D+01 -0.938654D+01  0.177715D+02  0.707419D+01
      3   0.554189D+01  0.106605D+01  0.651360D+01  0.819819D+01  0.469229D+01
                11            12            13            14            15 
      1  -0.404801D+00 -0.264625D+00 -0.395480D+00  0.334609D+01 -0.259670D+01
      2  -0.992667D+00  0.364175D+01 -0.193800D+01  0.408531D+01  0.366742D+01
      3  -0.250322D+01 -0.177448D+01  0.410081D+01 -0.587550D+01 -0.509404D+01
                16            17            18            19            20 
      1  -0.893839D-01  0.401890D+01 -0.300167D+01 -0.346275D+01  0.784100D+00
      2  -0.371204D+01  0.432800D+01 -0.396319D+01 -0.129058D+01  0.135919D+01
      3  -0.206257D+01 -0.409358D+01 -0.429360D+01  0.162839D+01 -0.417762D+01
                21            22            23            24            25 
      1  -0.104484D+01  0.470995D+00  0.941054D+00  0.123623D+01 -0.157607D+01
      2   0.105516D+01  0.488824D+01 -0.207428D+01  0.256300D+01 -0.330587D+01
      3   0.672200D+00  0.102340D+01 -0.302664D+01  0.142316D+01 -0.129032D+01
                26            27            28            29            30 
      1   0.549783D+01  0.634629D+00  0.123561D+01  0.122836D+01  0.311889D+00
      2   0.982991D+00 -0.221729D+01 -0.550342D+01  0.402912D+00 -0.471040D+01
      3   0.116314D+01  0.636007D+00 -0.751053D+01  0.114486D-01 -0.120596D+01
                31            32            33            34            35 
      1   0.264090D+01 -0.553485D+01  0.673509D+01  0.134233D+01  0.673130D+01
      2   0.550873D+01 -0.361884D-01 -0.274258D+01 -0.177633D+02 -0.285070D+01
      3   0.950761D+00  0.120352D+02 -0.426080D-01 -0.301534D+01 -0.354151D+00
                36            37            38            39            40 
      1   0.521643D+01 -0.150960D+01 -0.256268D+01  0.225635D+01 -0.183292D+01
      2   0.349192D+01  0.587068D+00  0.244178D+01  0.876910D+01  0.187088D+01
      3   0.968299D+00 -0.377366D+01 -0.146470D+02 -0.128654D+01 -0.116580D+02
                41            42            43            44            45 
      1  -0.173885D+01 -0.372551D+01  0.122239D-01  0.226948D+01 -0.143701D+01
      2   0.195117D+01  0.834518D+00  0.633397D+01  0.363240D+00 -0.532295D+01
      3  -0.110890D+02 -0.129651D+01 -0.441031D+00 -0.425917D-01  0.931729D+00
                46            47            48            49            50 
      1   0.423803D+01 -0.422907D+01 -0.892943D+00 -0.344379D+01 -0.422596D+01
      2  -0.568491D+01 -0.949802D+01  0.938680D+01 -0.777290D+01 -0.156672D+01
      3  -0.746117D+01 -0.468813D+01  0.521459D+01 -0.123615D+01  0.399473D+01
                51            52            53            54            55 
      1  -0.118856D+02 -0.142390D+01 -0.680992D+01 -0.185645D+01  0.430195D+00
      2  -0.266702D+01  0.244589D+01 -0.303496D+01  0.212188D+01  0.556964D+00
      3   0.500337D+01  0.399256D+01  0.455969D+01  0.413092D+01 -0.328379D+01
                56            57            58            59            60 
      1  -0.316835D+01  0.604476D+01 -0.306912D+01 -0.776073D+01 -0.455238D+01
      2   0.208204D+01  0.600780D+01 -0.157201D+00  0.173365D+00 -0.137698D+01
      3  -0.110246D+02 -0.179545D+01  0.145730D+01 -0.301489D+01  0.181116D+01
                61            62            63            64            65 
      1   0.674560D+01  0.422456D+01  0.491605D+01  0.385234D+00  0.991090D+00
      2  -0.175247D+01 -0.108015D+01  0.199754D+01  0.124472D+01  0.368437D+00
      3   0.713985D+00  0.377644D+01 -0.577045D+01 -0.822968D+00 -0.467028D+01
                66            67            68            69            70 
      1  -0.228605D+01  0.188297D+00  0.496058D+01 -0.997644D+01 -0.513664D+00
      2   0.490726D+01 -0.583678D+01  0.159765D+01  0.544728D+01  0.132304D+01
      3  -0.714623D+00  0.890397D+01 -0.197257D+02 -0.228196D+01  0.150294D+01
                71            72            73            74            75 
      1   0.189083D+01 -0.211499D+01  0.622838D+00 -0.380568D+00  0.139799D+00
      2   0.566354D+01  0.295449D+01  0.109562D+01 -0.177266D+00  0.147349D+00
      3  -0.222760D+01 -0.546220D+01  0.551633D+00 -0.406513D+00 -0.484353D+00
                76            77            78            79            80 
      1  -0.265366D+00 -0.172998D+01 -0.712600D+00  0.232506D+00  0.276922D+01
      2  -0.242631D+00  0.437032D+00 -0.366445D+00 -0.373486D+01  0.232737D-01
      3   0.145351D+01  0.397070D+00 -0.268136D+00 -0.953264D+00 -0.483907D+00
                81            82            83            84            85 
      1   0.209958D+01 -0.967944D+00  0.117755D+00 -0.238191D+00 -0.179900D+00
      2   0.873846D+00 -0.246573D+01 -0.259839D+00 -0.121462D+00 -0.160202D+01
      3   0.356096D-01  0.219114D+01  0.464537D+00  0.122820D+01  0.443807D+01
                86            87            88            89            90 
      1   0.106543D+01 -0.322039D+01  0.779768D-03  0.745664D+00 -0.103320D+01
      2  -0.259234D+01 -0.300377D+01 -0.278413D+01 -0.251335D+01 -0.229432D+01
      3   0.737461D+01  0.331979D+01  0.249233D+01  0.320159D+01  0.302832D+01
                91            92            93            94            95 
      1   0.145484D+01  0.156277D+01  0.139134D+01  0.186498D+01  0.222802D+01
      2  -0.247893D+01 -0.220605D+01 -0.152708D+01 -0.232996D+01 -0.418644D+01
      3   0.689465D+01  0.857629D+01  0.787845D+00  0.123121D+02  0.168079D+02
                96            97            98            99           100 
      1  -0.419407D+00  0.120716D+01  0.161566D+01 -0.267603D+00 -0.144970D+01
      2  -0.345125D+01 -0.205484D+01 -0.239421D+01 -0.129457D+01 -0.105715D+01
      3   0.296149D+01  0.130241D+01  0.229165D+01  0.454214D+00  0.894931D+00
               101           102           103           104           105 
      1  -0.403532D+00 -0.438468D+01 -0.104599D+01 -0.256411D+00 -0.608629D+00
      2  -0.777931D+00 -0.566675D+00 -0.782741D+00  0.119804D+00  0.649226D-01
      3   0.104586D+01  0.196172D+01  0.215032D+01 -0.387041D+00  0.785223D+00
               106           107           108           109           110 
      1  -0.512920D+01  0.820507D+00 -0.109942D+02  0.106599D+01  0.257973D+01
      2  -0.374656D+01  0.126726D+00 -0.195752D+01  0.316418D+00 -0.247902D+00
      3   0.520323D+01 -0.330822D-01  0.474253D+01  0.399700D+01  0.316685D+01
               111           112           113           114           115 
      1  -0.264847D+01  0.296385D+01  0.464471D+01 -0.428424D+01 -0.246098D+01
      2   0.174972D+00 -0.257653D+00 -0.383322D+00  0.617960D+00 -0.974779D+00
      3  -0.935242D+00  0.799399D+01  0.603517D+01 -0.202184D+01 -0.393071D+01
               116           117           118           119           120 
      1  -0.314481D+01  0.293036D+01 -0.170366D+01 -0.234281D+01 -0.185921D+01
      2   0.206596D+00 -0.237251D+00  0.118425D+02  0.461912D+01 -0.346570D+01
      3  -0.293254D+01  0.205025D+01  0.967027D+01  0.282190D+01 -0.304700D+01
               121           122           123           124           125 
      1  -0.121196D+01 -0.148669D+01 -0.931356D-01 -0.444934D+00  0.225680D+01
      2   0.509799D+01  0.330668D+01 -0.188046D+01 -0.511745D+01 -0.210802D+01
      3   0.555817D+01  0.295122D+01 -0.256087D+01 -0.244726D+01 -0.153959D+01
               126           127           128           129           130 
      1   0.674901D+00 -0.296763D+01  0.439901D+01  0.166871D+01  0.325722D+01
      2   0.337413D+01 -0.476901D+01  0.304649D+01  0.238625D+01  0.430755D+01
      3   0.256953D+01 -0.135179D+01 -0.297229D+01  0.134708D-01  0.157287D+01
               131           132           133           134           135 
      1  -0.404310D+01 -0.657936D+00  0.132370D+00  0.188437D+01 -0.931860D-01
      2  -0.168283D+01 -0.135349D+01 -0.136062D+01  0.209982D+00 -0.145696D+00
      3   0.342078D+01 -0.154115D+01 -0.671226D+00 -0.105386D+01 -0.248615D+00
               136           137           138           139           140 
      1   0.952207D+00  0.253492D+01  0.106998D+01  0.170752D+01  0.101996D+02
      2   0.715530D-01  0.532014D+00  0.477098D+00 -0.141717D+01  0.204771D+01
      3   0.111943D-01 -0.248706D+01 -0.131561D+01  0.105317D+00 -0.627514D+01
               141           142           143           144           145 
      1   0.523744D+01  0.100194D+01  0.816668D+01  0.615599D+01  0.191682D+00
      2   0.438606D+01 -0.260105D+01  0.213115D+01  0.403816D+01 -0.230552D+01
      3  -0.344797D+01 -0.483376D+00 -0.365108D+01 -0.315395D+01  0.298564D+00
               146           147           148           149           150 
      1   0.466104D-01 -0.134727D+00 -0.348551D+00 -0.136280D+01 -0.518557D+00
      2  -0.725405D-01  0.306375D+00  0.599074D-01 -0.201986D+01  0.464649D+01
      3  -0.993910D+00 -0.261650D+00 -0.389967D+00 -0.282323D+01  0.261620D+01
               151           152           153           154           155 
      1  -0.659341D-01  0.374721D+01  0.871633D+00 -0.105958D+01 -0.127810D+01
      2  -0.113443D+01  0.492230D+01 -0.220699D+02  0.312206D+01  0.183102D+01
      3  -0.332422D+00  0.419425D+01 -0.510608D+01 -0.290105D+01 -0.415615D+01
               156           157           158           159           160 
      1  -0.995173D+00 -0.140717D+01 -0.394488D+01 -0.415817D+01 -0.820057D+00
      2   0.221540D+01  0.173682D+01  0.640818D+01  0.644550D+01  0.900445D+00
      3  -0.799828D+00 -0.210396D+01 -0.157139D+02 -0.482480D+01 -0.658831D+00
               161           162           163           164           165 
      1  -0.898680D+00 -0.228173D+01  0.212461D+01 -0.173812D+01  0.760469D+00
      2   0.494921D+01  0.393463D+01  0.601379D+01 -0.248212D+01  0.508340D+01
      3  -0.734797D+01 -0.431293D+01  0.800043D+01 -0.953040D+01  0.413456D-01
               166           167           168           169           170 
      1  -0.173914D+01  0.176278D+01 -0.173023D+01 -0.185128D-01  0.225590D+00
      2  -0.270792D+01  0.304452D+01 -0.316803D+01  0.224728D+01 -0.582442D+00
      3  -0.614542D+01  0.773091D+01 -0.108346D+01  0.128416D-01 -0.194042D+01
               171 
      1   0.217469D+00
      2  -0.543675D-01
      3   0.602210D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892860D+01  0.242723D+02 -0.120946D+02  0.291371D+02 -0.157537D+02
      2   0.140431D+01 -0.135111D+02  0.562385D+01 -0.160546D+02  0.224557D+01
      3   0.752429D+01 -0.107612D+02  0.647075D+01 -0.130826D+02  0.135081D+02
      4   0.263480D+02 -0.136456D+02 -0.525603D+01 -0.198850D+02 -0.112777D+02
      5  -0.111045D+02 -0.830396D+01  0.491122D+01 -0.100403D+02 -0.101517D+02
      6  -0.493860D+01  0.203077D+01  0.102274D+00  0.139960D+01 -0.936678D+00
                 6             7             8             9            10 
      1  -0.858736D+01 -0.142023D+02 -0.617000D+01  0.116710D+02 -0.759001D+01
      2  -0.249451D+01  0.378295D+01 -0.454154D+01  0.702848D+01  0.235364D+01
      3   0.110819D+02  0.104193D+02  0.107115D+02 -0.186995D+02  0.523638D+01
      4  -0.115857D+02 -0.458035D+01 -0.130806D+02 -0.125918D+02 -0.113889D+02
      5  -0.129483D+02  0.665990D+00 -0.134210D+02  0.264763D+02  0.117034D+02
      6  -0.197961D+00 -0.110310D+01 -0.360334D+00  0.560658D+01 -0.433790D+01
                11            12            13            14            15 
      1  -0.105549D+02  0.101614D+02 -0.150312D+02  0.982754D+01  0.674547D+01
      2   0.510762D+01 -0.673308D+01  0.806292D+01 -0.793105D+01 -0.102223D+02
      3   0.544729D+01 -0.342831D+01  0.696832D+01 -0.189648D+01  0.347679D+01
      4   0.381691D+01  0.198961D+01  0.990070D+01  0.513584D+01  0.547072D+01
      5   0.384267D+01 -0.176727D+01  0.721219D+01  0.611520D+01  0.695507D+01
      6   0.149735D+01 -0.662088D+00  0.756648D+00 -0.961938D+01 -0.358162D+01
                16            17            18            19            20 
      1   0.133734D+02  0.492140D+01  0.509148D+01 -0.780702D+01 -0.721326D+00
      2  -0.665738D+01 -0.347394D+01 -0.452149D+01  0.983028D+01  0.200862D+00
      3  -0.671600D+01 -0.144746D+01 -0.569990D+00 -0.202327D+01  0.520463D+00
      4   0.502580D+01  0.498080D+01  0.872003D+01 -0.127304D+01  0.419062D+01
      5  -0.528729D+00  0.863201D+01 -0.101773D+02 -0.244968D+01 -0.871233D-01
      6   0.774132D+00 -0.586601D+01  0.203595D+01  0.347558D+01 -0.261111D+01
                21            22            23            24            25 
      1   0.967693D-01  0.695800D+01  0.383870D+01 -0.129781D+01 -0.456435D+01
      2   0.202233D+01 -0.256277D+01 -0.670582D+01 -0.341414D+01  0.343394D+01
      3  -0.211910D+01 -0.439523D+01  0.286712D+01  0.471195D+01  0.113041D+01
      4   0.130714D+01 -0.718822D+01  0.636531D+01  0.936775D+00 -0.461895D+01
      5   0.582104D+00 -0.265956D+01  0.760540D+00  0.349846D+01 -0.932796D+00
      6   0.808371D+00 -0.659614D+00  0.430830D+00 -0.546825D+01 -0.810251D+00
                26            27            28            29            30 
      1  -0.544221D+00  0.995730D+01 -0.680531D+01  0.113520D+02  0.212337D+01
      2  -0.970931D+01  0.757479D+01  0.818624D+00 -0.889955D+01 -0.650776D+01
      3   0.102535D+02 -0.175321D+02  0.598669D+01 -0.245241D+01  0.438439D+01
      4   0.109853D+01 -0.824337D-01  0.583702D+01 -0.831341D+01 -0.299807D+01
      5  -0.140310D+01  0.773122D+00  0.373880D+01 -0.320827D+01 -0.748148D+01
      6  -0.350901D+01  0.879058D+01 -0.158936D+01 -0.261928D+01 -0.128227D+01
                31            32            33            34            35 
      1   0.169959D+01  0.759999D+01  0.294892D+01  0.359002D+01 -0.136585D+01
      2  -0.422375D+01 -0.170853D+02  0.472093D+01 -0.437594D+01 -0.230915D+01
      3   0.252417D+01  0.948530D+01 -0.766985D+01  0.785928D+00  0.367500D+01
      4  -0.184996D+02 -0.236601D+02 -0.566112D+01 -0.982117D+01 -0.283264D+01
      5  -0.951063D+01 -0.758223D+01 -0.544133D+01 -0.170456D+00 -0.396849D+01
      6  -0.328011D+01 -0.859314D+01 -0.109838D+02 -0.317109D+01  0.169423D+01
                36            37            38            39            40 
      1  -0.416631D+01  0.502047D+02 -0.729268D+01 -0.524313D+01  0.644371D+01
      2  -0.309862D+01 -0.298595D+02  0.150924D+01  0.660954D+01 -0.724253D+01
      3   0.726493D+01 -0.203451D+02  0.578344D+01 -0.136641D+01  0.798819D+00
      4  -0.480958D+01 -0.165563D+02  0.157843D+02  0.229230D+01  0.169597D+02
      5   0.400363D+01 -0.934834D+01  0.145009D+01  0.162463D+02  0.445679D+00
      6  -0.725967D+01 -0.701980D+00 -0.692767D-01 -0.274688D+01 -0.165106D+01
                41            42            43            44            45 
      1   0.118920D+02 -0.275032D+00 -0.330824D+01  0.286044D+01  0.640231D+01
      2  -0.501329D+01 -0.169374D+01  0.312601D+01 -0.180204D+01 -0.101102D+02
      3  -0.687869D+01  0.196877D+01  0.182230D+00 -0.105839D+01  0.370790D+01
      4  -0.193840D+00 -0.527116D+00  0.439599D+01 -0.737613D+00 -0.320740D+01
      5  -0.327962D+00 -0.799883D+00  0.152750D+02 -0.348049D+01 -0.117161D+02
      6  -0.124701D+01  0.621634D+01 -0.106830D+01  0.426366D+01  0.157454D+01
                46            47            48            49            50 
      1   0.897549D+01  0.140420D+02 -0.937210D+01  0.132946D+02 -0.304851D+01
      2  -0.100579D+02 -0.134355D-01  0.521388D+01  0.658585D+00  0.594648D+01
      3   0.108237D+01 -0.140285D+02  0.415822D+01 -0.139531D+02 -0.289797D+01
      4   0.121542D+02 -0.172373D+02  0.576569D+01 -0.179877D+02  0.364712D+01
      5  -0.603872D+01  0.939552D+01 -0.540867D+01  0.789175D+01 -0.128319D+02
      6   0.162992D+02 -0.513294D+01 -0.352622D+01 -0.572066D+01  0.140704D+01
                51            52            53            54            55 
      1   0.316780D+01 -0.779992D+01  0.211220D+01 -0.691240D+01  0.163252D+02
      2   0.128369D+02  0.398911D+01  0.101691D+02  0.162184D+01 -0.126947D+02
      3  -0.160047D+02  0.381080D+01 -0.122813D+02  0.529056D+01 -0.363046D+01
      4  -0.861167D+01  0.325376D+01 -0.550660D+01 -0.961982D+01 -0.184514D+01
      5  -0.107180D+02 -0.644590D+01 -0.111996D+02  0.670701D+01 -0.103017D+01
      6  -0.757143D+01 -0.370664D+01 -0.468161D+01 -0.119256D+02 -0.952808D+00
                56            57            58            59            60 
      1   0.720335D+01 -0.617254D-01  0.520995D+01 -0.977357D+01 -0.653599D+01
      2  -0.130703D+02  0.394717D+01 -0.122244D+02  0.127385D+02  0.103413D+02
      3   0.586693D+01 -0.388545D+01  0.701445D+01 -0.296496D+01 -0.380529D+01
      4  -0.296784D+01 -0.140463D+01  0.307511D+01 -0.139646D+02  0.220974D+00
      5  -0.122221D-02  0.247771D+01  0.435779D+00 -0.599100D+00 -0.270319D+01
      6   0.255311D+01 -0.823587D+01  0.169905D+01  0.125511D+02  0.628556D+01
                61            62            63            64            65 
      1  -0.234712D+01 -0.744869D+01  0.499909D+00  0.105171D+02  0.557209D+01
      2   0.661313D+01  0.139466D+02  0.131149D+01 -0.219452D+01  0.141356D+01
      3  -0.426601D+01 -0.649788D+01 -0.181140D+01 -0.832259D+01 -0.698565D+01
      4   0.290407D+00  0.137969D+01 -0.842623D+01  0.163026D+02  0.189724D+02
      5   0.343047D+01 -0.219838D+01 -0.380307D+01  0.688069D+01  0.582159D+01
      6  -0.918891D+01  0.282236D+01 -0.449807D+01  0.355651D+01  0.338156D+01
                66            67            68            69            70 
      1   0.115832D+01  0.852024D+01 -0.212657D+02 -0.611963D+01  0.295312D+01
      2  -0.784909D+00  0.151287D+01  0.395883D+02  0.174087D+01 -0.958176D+00
      3  -0.373411D+00 -0.100331D+02 -0.183227D+02  0.437876D+01 -0.199494D+01
      4   0.489923D+01  0.240066D+02  0.451167D+02  0.940985D+01  0.546524D+01
      5   0.923535D+01  0.671302D+01  0.112892D+02  0.115526D+02  0.101432D+02
      6   0.434441D+01  0.541113D+01  0.134475D+02  0.171460D+02  0.532482D+01
                71            72            73            74            75 
      1  -0.467743D+01 -0.581100D+01  0.101060D+01  0.608349D+00 -0.260089D+00
      2   0.250455D+01  0.579992D+00 -0.363706D+01 -0.570416D+00 -0.405695D+00
      3   0.217289D+01  0.523100D+01  0.262646D+01 -0.379329D-01  0.665784D+00
      4   0.697188D+01  0.126277D+02 -0.258239D+00  0.171484D+01 -0.189448D+01
      5   0.128850D+02  0.103642D+02  0.262156D+00 -0.129182D+01  0.536668D+01
      6   0.142815D+02  0.977607D+01 -0.201490D+01  0.789784D+00 -0.652803D-01
                76            77            78            79            80 
      1   0.281417D+00 -0.537565D+01  0.336465D+01  0.552292D+00  0.539632D+01
      2   0.270289D+00  0.188985D+01 -0.544813D+00  0.333434D+00  0.433365D+00
      3  -0.551706D+00  0.348579D+01 -0.281984D+01 -0.885726D+00 -0.582968D+01
      4   0.258311D+01 -0.114159D+01  0.519033D+00 -0.539799D+00  0.948538D+00
      5  -0.614773D+00  0.481928D-01 -0.748595D+00  0.546321D+01  0.186400D+00
      6   0.897127D+00 -0.411192D+01  0.852397D+01  0.308325D+00  0.779760D+01
                81            82            83            84            85 
      1  -0.185318D+02 -0.345228D+00 -0.989436D+00 -0.271648D+01 -0.286611D+01
      2  -0.130495D+02  0.220250D+01  0.767399D+00  0.188387D+01  0.216438D+01
      3   0.315813D+02 -0.185727D+01  0.222038D+00  0.832604D+00  0.701729D+00
      4  -0.489314D+00 -0.289424D+00  0.324651D+01  0.137609D+01  0.254081D+01
      5   0.114188D+01 -0.202003D+01  0.122397D+01  0.204051D+01  0.101235D+01
      6  -0.134050D+02  0.294214D+01  0.482148D+00  0.759955D+00  0.648404D+00
                86            87            88            89            90 
      1  -0.133855D+02 -0.503775D+01 -0.430232D+01 -0.615272D+01 -0.728161D+01
      2   0.178498D+02  0.674483D+01  0.232235D+01  0.431815D+01  0.209876D+01
      3  -0.446430D+01 -0.170707D+01  0.197997D+01  0.183457D+01  0.518285D+01
      4  -0.111251D+02 -0.445497D+01 -0.702862D-01 -0.482874D+01 -0.419009D+01
      5  -0.445305D+01 -0.605482D+01  0.267619D+01 -0.447316D+01 -0.378126D+01
      6   0.120197D+02  0.994884D+01  0.963387D+00  0.102842D+02  0.903602D+01
                91            92            93            94            95 
      1  -0.116376D+02 -0.401461D+01  0.595522D-01 -0.170737D+02 -0.608014D+01
      2   0.105248D+02  0.679078D+00  0.175701D-02  0.101069D+02  0.855788D+01
      3   0.111282D+01  0.333553D+01 -0.613092D-01  0.696672D+01 -0.247774D+01
      4  -0.460303D+01  0.121535D+01  0.148878D+00  0.610220D+01 -0.157926D+02
      5   0.657714D+00  0.648707D+00 -0.130846D+01  0.278205D+01 -0.302100D+01
      6   0.102427D+01 -0.664413D+00 -0.217631D+01 -0.621243D+00  0.285567D+01
                96            97            98            99           100 
      1  -0.362644D-01 -0.164730D+01 -0.151527D+01 -0.792706D+00 -0.164640D+01
      2   0.655959D+00  0.127996D+01  0.130107D+01 -0.357059D+00  0.127443D+01
      3  -0.619694D+00  0.367342D+00  0.214201D+00  0.114976D+01  0.371972D+00
      4  -0.399189D+01  0.969353D+00 -0.327412D+01 -0.335902D+01  0.191654D+01
      5  -0.518908D+01  0.349769D+01 -0.295023D+01 -0.293083D+01  0.126880D+01
      6   0.180826D+01 -0.162312D+01  0.292453D+01  0.179902D+01  0.368514D+01
               101           102           103           104           105 
      1  -0.161782D+01 -0.196919D+01  0.100404D+01 -0.291232D+01 -0.779334D+00
      2   0.214940D+01 -0.212964D-01 -0.855148D+00  0.348322D+01  0.978675D+00
      3  -0.531584D+00  0.199048D+01 -0.148888D+00 -0.570900D+00 -0.199341D+00
      4   0.312891D+01  0.300674D+01  0.265844D+01  0.174652D+01  0.158781D+01
      5   0.171019D+01  0.277956D+01  0.196317D+01  0.421643D+00  0.161596D+01
      6   0.202852D+01  0.669719D+01  0.124291D+01  0.233256D+01  0.287806D+01
               106           107           108           109           110 
      1  -0.182599D+01 -0.419487D+01 -0.776702D+01 -0.179333D+01 -0.682378D+01
      2  -0.182831D+01  0.498749D+01 -0.424919D+01  0.586051D+01  0.141576D+02
      3   0.365430D+01 -0.792616D+00  0.120162D+02 -0.406718D+01 -0.733382D+01
      4   0.634813D+01  0.222997D+01  0.542509D+01  0.488679D+01  0.893162D+01
      5   0.335132D+01  0.152195D+01  0.481777D+01 -0.130425D+01 -0.107631D+01
      6   0.637459D+01  0.522249D+01  0.159554D+02 -0.237093D+01 -0.370163D+01
               111           112           113           114           115 
      1   0.614795D+00 -0.566018D+01 -0.165590D+02  0.344567D+01  0.255605D+01
      2  -0.275580D+01  0.115566D+02  0.312132D+02 -0.693680D+01 -0.443851D+01
      3   0.214100D+01 -0.589640D+01 -0.146543D+02  0.349113D+01  0.188246D+01
      4  -0.175105D+01  0.965407D+01  0.113272D+02 -0.317141D+01 -0.335553D+01
      5   0.201209D+01  0.131674D+00 -0.134886D+01  0.796409D+00  0.186550D+01
      6   0.322848D+01 -0.374462D+01 -0.844811D+01  0.649244D+01  0.382596D+01
               116           117           118           119           120 
      1   0.753565D+01 -0.469964D+01 -0.971680D+01 -0.953381D+01  0.109473D+02
      2  -0.124000D+02  0.565018D+01  0.542360D+01  0.647590D+01 -0.103951D+01
      3   0.486437D+01 -0.950536D+00  0.429320D+01  0.305791D+01 -0.990782D+01
      4  -0.454828D+01  0.322441D+01  0.701438D+01  0.417556D+01 -0.238136D+01
      5   0.142275D+01 -0.100952D+01 -0.952322D+01 -0.396768D+01  0.322577D+01
      6   0.945739D+01 -0.609288D+01 -0.793942D+01 -0.816916D+01  0.881497D+01
               121           122           123           124           125 
      1  -0.807510D+01 -0.867165D+01  0.640397D+01  0.702816D+01  0.513542D+01
      2   0.530380D+01  0.776029D+01 -0.342835D+01 -0.725740D+00 -0.263108D+01
      3   0.277130D+01  0.911360D+00 -0.297562D+01 -0.630243D+01 -0.250434D+01
      4   0.591847D+01  0.762503D+00  0.139329D+00 -0.214487D+01 -0.554014D+00
      5  -0.499139D+01 -0.404430D+00  0.147641D+01  0.554103D+01  0.232833D+01
      6  -0.498620D+01 -0.856254D+01  0.820442D+01  0.579689D+01  0.688594D+01
               126           127           128           129           130 
      1  -0.793941D+01  0.163872D+02 -0.672748D+01  0.183572D+01 -0.731767D+01
      2  -0.853178D+00 -0.395993D+01 -0.342753D+01 -0.304810D+01 -0.259579D+01
      3   0.879259D+01 -0.124273D+02  0.101550D+02  0.121238D+01  0.991346D+01
      4   0.279380D+01 -0.224596D+02  0.203848D+02 -0.786595D+01  0.193696D+02
      5  -0.286583D+01  0.167972D+02 -0.116597D+02  0.120334D+02 -0.112446D+02
      6  -0.595437D+01 -0.107383D+02  0.109243D+02 -0.713422D+01  0.894674D+01
               131           132           133           134           135 
      1  -0.654674D+00  0.141358D+01  0.418549D+00  0.100434D+01  0.194010D+00
      2   0.104067D+02 -0.142043D+01 -0.193306D+01 -0.270278D+00 -0.171002D+01
      3  -0.975208D+01  0.684819D-02  0.151451D+01 -0.734059D+00  0.151601D+01
      4  -0.213048D+02  0.784664D+01 -0.354801D+01  0.408772D+01 -0.501791D+01
      5   0.113759D+02 -0.700582D+01  0.820477D+01 -0.486090D+01  0.527481D+01
      6  -0.132533D+02  0.980488D+01 -0.492144D+01  0.725535D+01 -0.407977D+01
               136           137           138           139           140 
      1   0.175164D+01  0.474340D+00  0.231805D+01  0.221917D+01 -0.167895D+01
      2  -0.338414D+01 -0.227552D+01 -0.476387D+01 -0.396802D+01 -0.435324D+01
      3   0.163250D+01  0.180118D+01  0.244583D+01  0.174885D+01  0.603219D+01
      4   0.985883D+00  0.536513D+01  0.801032D+00  0.454297D+01  0.790673D+01
      5   0.612795D+01  0.210834D+01  0.821446D+01  0.559235D+01  0.823235D+01
      6   0.142135D+00  0.322822D+01  0.137322D+01  0.258398D+01  0.109036D+02
               141           142           143           144           145 
      1  -0.533196D+01  0.219166D+01 -0.298470D+01 -0.739350D+01  0.181116D+01
      2  -0.996216D+01 -0.449700D+01 -0.664463D+01 -0.127191D+02 -0.316265D+01
      3   0.152941D+02  0.230534D+01  0.962934D+01  0.201126D+02  0.135149D+01
      4   0.573237D+01  0.275049D+00  0.505506D+01  0.501749D+01 -0.765156D+00
      5   0.121127D+02  0.761762D+01  0.609761D+01  0.128356D+02 -0.341914D+01
      6   0.764218D+01  0.115125D+01  0.892245D+01  0.642336D+01 -0.639336D+00
               146           147           148           149           150 
      1  -0.630274D+00 -0.497739D+01 -0.559438D+00 -0.651979D+00  0.285023D+01
      2   0.364286D+00  0.233808D+01 -0.207624D+00 -0.528869D+00  0.169570D+01
      3   0.265988D+00  0.263931D+01  0.767062D+00  0.118085D+01 -0.454592D+01
      4   0.242343D+01 -0.962993D+00  0.508972D+01  0.498283D+01 -0.515093D+01
      5  -0.647988D+00  0.582872D+01 -0.194808D+01 -0.495029D+01  0.889064D+01
      6  -0.107581D+00  0.316178D+00 -0.132522D+01 -0.336670D+01  0.761847D+01
               151           152           153           154           155 
      1  -0.866062D+01  0.302877D+01 -0.130505D+02  0.940249D+01  0.465739D+01
      2   0.849946D+01  0.160497D+01 -0.185732D+02 -0.184941D+01  0.212606D+00
      3   0.161160D+00 -0.463374D+01  0.316237D+02 -0.755308D+01 -0.487000D+01
      4  -0.289853D+01 -0.710809D+01  0.832116D+01  0.612316D+01  0.117224D+02
      5   0.146261D+02  0.903297D+01 -0.427155D+02  0.316441D+01  0.293728D+01
      6   0.103138D+01  0.787134D+01 -0.809333D+01  0.123482D+01 -0.548655D+00
               156           157           158           159           160 
      1   0.394491D+01  0.108502D+02  0.542623D+01  0.179497D+01  0.103063D+02
      2  -0.102637D+01 -0.236159D+01  0.937760D+01  0.330535D+01 -0.413357D+01
      3  -0.291853D+01 -0.848866D+01 -0.148038D+02 -0.510032D+01 -0.617275D+01
      4   0.392170D+01  0.163883D+02  0.288406D+02  0.805644D+01  0.697256D+01
      5   0.312717D+01  0.198859D+01  0.782487D+01  0.105199D+02  0.431017D+01
      6   0.421945D+00 -0.215556D+00  0.394146D+00  0.349976D+01  0.140669D+01
               161           162           163           164           165 
      1   0.295671D+01 -0.794711D-01  0.548799D+02 -0.191620D+02  0.772537D+00
      2   0.281147D+01 -0.335259D+00 -0.263904D+02  0.867348D+01  0.776897D+00
      3  -0.576819D+01  0.414731D+00 -0.284895D+02  0.104886D+02 -0.154943D+01
      4   0.124597D+02  0.797749D+01 -0.220445D+02  0.175448D+02  0.432461D+00
      5   0.837286D+01  0.631071D+01 -0.635958D+01  0.253201D+01  0.854200D+01
      6   0.311184D+01  0.236258D+01  0.386380D+01 -0.329174D+01 -0.103786D+01
               166           167           168           169           170 
      1  -0.290914D+02  0.135912D+02  0.914990D+00  0.701957D+01 -0.848371D+00
      2   0.127734D+02 -0.216874D+01 -0.100153D+01 -0.250167D+01  0.754433D+00
      3   0.163180D+02 -0.114224D+02  0.865390D-01 -0.451790D+01  0.939379D-01
      4   0.210170D+02 -0.172859D+02  0.123839D+01 -0.141879D+01  0.325888D+01
      5   0.484074D+01 -0.397333D+00 -0.580911D+01  0.765596D+01 -0.243938D+01
      6  -0.337779D+01  0.322302D+01  0.239097D+01 -0.127940D+01  0.207549D+01
               171 
      1   0.350457D+01
      2  -0.339341D+01
      3  -0.111158D+00
      4  -0.231360D+01
      5  -0.170201D+01
      6  -0.625090D+00
 Leave Link  716 at Fri Aug 13 11:52:58 2021, MaxMem=  5637144576 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.862463D+02  0.851847D-01 -0.199648D+01
      2   0.851847D-01  0.804535D+02  0.142632D+01
      3  -0.199648D+01  0.142632D+01  0.706572D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.569778D+00 -0.457459D+00  0.112258D+01
      2   0.272584D+01 -0.805796D+01  0.342001D+02
      3   0.633108D+01 -0.173022D+02  0.867344D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.743619D+02 -0.812469D+01 -0.285287D+01
      2  -0.423511D+02  0.912229D+01 -0.609692D+00
      3  -0.320108D+02 -0.997600D+00  0.346257D+01
      4  -0.367959D+01  0.381752D+02 -0.212085D+02
      5   0.545858D+01 -0.231843D+02  0.752221D+02
      6  -0.914608D+01  0.753182D+01  0.177757D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.801125D+00  0.401710D+01 -0.235560D+01  0.460337D+01 -0.292052D+01
      2   0.401710D+01 -0.237067D+01 -0.103115D+01 -0.292052D+01 -0.216608D+01
      3  -0.235560D+01 -0.103115D+01  0.758473D+00 -0.952365D+00 -0.216463D+01
                 6             7             8             9            10 
      1  -0.952365D+00 -0.253390D+01 -0.621826D+00 -0.300923D+00  0.180955D+01
      2  -0.216463D+01 -0.621826D+00 -0.213088D+01 -0.304009D+01 -0.365241D+01
      3  -0.269473D+01 -0.300923D+00 -0.304009D+01  0.624744D+01  0.275515D+01
                11            12            13            14            15 
      1  -0.365241D+01  0.275515D+01 -0.483955D+01  0.167172D+01  0.107188D+01
      2   0.179747D+01  0.123765D+01  0.167172D+01  0.248150D+01  0.240731D+01
      3   0.123765D+01 -0.368029D+00  0.107188D+01  0.240731D+01  0.317055D+01
                16            17            18            19            20 
      1   0.299931D+01  0.796565D+00 -0.103906D+00 -0.754865D+00  0.349496D+01
      2   0.796565D+00  0.209044D+01  0.372317D+01  0.349496D+01 -0.944076D+00
      3  -0.103906D+00  0.372317D+01 -0.411636D+01 -0.555302D+00 -0.228912D+00
                21            22            23            24            25 
      1  -0.555302D+00  0.394437D+01  0.200718D+00  0.238173D+00 -0.814161D+00
      2  -0.228912D+00  0.200718D+00 -0.214462D+01 -0.113624D+01  0.760747D+00
      3  -0.618447D-01  0.238173D+00 -0.113624D+01 -0.119413D+01  0.224850D+00
                26            27            28            29            30 
      1   0.760747D+00  0.224850D+00 -0.201733D+01 -0.225525D+01 -0.286621D+00
      2  -0.123749D+01 -0.225011D+01 -0.225525D+01  0.178642D+00  0.718132D+00
      3  -0.225011D+01  0.552298D+01 -0.286621D+00  0.718132D+00 -0.324807D+00
                31            32            33            34            35 
      1  -0.505338D+00  0.177519D+01  0.103279D+01  0.206412D-01  0.123908D+01
      2   0.177519D+01  0.538308D+01  0.164877D+01  0.123908D+01  0.210769D+01
      3   0.103279D+01  0.164877D+01  0.814772D+00  0.329904D+00  0.869523D+00
                36            37            38            39            40 
      1   0.329904D+00 -0.799903D+01  0.129663D+01  0.147765D+01 -0.202728D+01
      2   0.869523D+00  0.129663D+01 -0.191615D+01 -0.534421D+00 -0.366914D+01
      3   0.278494D-01  0.147765D+01 -0.534421D+00 -0.108602D+01 -0.203405D+00
                41            42            43            44            45 
      1  -0.366914D+01 -0.203405D+00  0.130577D+01 -0.788922D+00 -0.199392D+01
      2  -0.153167D+01 -0.266336D+00 -0.788922D+00 -0.673682D+00  0.581503D+00
      3  -0.266336D+00 -0.390144D-01 -0.199392D+01  0.581503D+00  0.187665D+01
                46            47            48            49            50 
      1   0.511000D+00  0.468384D+01 -0.296216D+01  0.455131D+01 -0.189803D+01
      2   0.468384D+01 -0.205979D+01 -0.862446D+00 -0.189803D+01 -0.548411D+00
      3  -0.296216D+01 -0.862446D+00  0.488813D+00 -0.942610D+00 -0.292325D+01
                51            52            53            54            55 
      1  -0.942610D+00 -0.210730D+01 -0.901166D+00  0.326369D+00 -0.833069D+00
      2  -0.292325D+01 -0.901166D+00 -0.221309D+01 -0.327575D+01 -0.142033D+01
      3  -0.259103D+01  0.326369D+00 -0.327575D+01  0.269095D+01 -0.163517D+00
                56            57            58            59            60 
      1  -0.142033D+01 -0.163517D+00 -0.110529D+01 -0.282114D+01  0.167073D+00
      2  -0.250170D+01  0.346958D+00 -0.282114D+01  0.230953D+01  0.215787D+01
      3   0.346958D+00 -0.197064D+01  0.167073D+00  0.215787D+01  0.164374D+00
                61            62            63            64            65 
      1   0.914559D-01  0.435242D+00 -0.237239D+01 -0.160677D+01 -0.280789D+01
      2   0.435242D+00  0.241999D+01  0.512413D+00 -0.280789D+01 -0.185847D+01
      3  -0.237239D+01  0.512413D+00 -0.219033D+01 -0.989122D+00 -0.921335D+00
                66            67            68            69            70 
      1  -0.989122D+00 -0.409453D+01 -0.246547D+01 -0.706284D+00 -0.145814D+01
      2  -0.921335D+00 -0.246547D+01 -0.117608D+02 -0.230994D+01 -0.742179D+00
      3  -0.446478D+00 -0.706284D+00 -0.230994D+01 -0.270913D+01 -0.115875D+01
                71            72            73            74            75 
      1  -0.742179D+00 -0.115875D+01  0.259897D+00 -0.247753D+00 -0.104453D+01
      2  -0.188786D+01 -0.326668D+01 -0.247753D+00  0.113755D+00  0.248092D-01
      3  -0.326668D+01 -0.255324D+01 -0.104453D+01  0.248092D-01  0.709637D-02
                76            77            78            79            80 
      1  -0.521199D+00 -0.723217D-01  0.164881D+00 -0.182852D+01 -0.428361D-01
      2  -0.723217D-01  0.147709D+01 -0.123476D+01 -0.428361D-01 -0.168361D+01
      3   0.164881D+00 -0.123476D+01  0.127138D+01 -0.223556D+00  0.181116D+01
                81            82            83            84            85 
      1  -0.223556D+00 -0.983974D+00 -0.369650D+00 -0.110098D+01 -0.895823D+00
      2   0.181116D+01 -0.369650D+00 -0.277742D+00 -0.902729D-01 -0.387834D+00
      3  -0.788871D+01 -0.110098D+01 -0.902729D-01 -0.196930D+00 -0.213686D+00
                86            87            88            89            90 
      1  -0.387834D+00 -0.213686D+00 -0.159959D+01 -0.219003D+00 -0.212099D-01
      2  -0.555820D+01 -0.225437D+01 -0.219003D+00 -0.230681D+01 -0.224768D+01
      3  -0.225437D+01 -0.260786D+01 -0.212099D-01 -0.224768D+01 -0.209965D+01
                91            92            93            94            95 
      1   0.132967D+01  0.208236D+01  0.723998D-01  0.466029D+01  0.514555D+00
      2   0.208236D+01  0.367051D+00  0.178322D+00  0.514555D+00  0.426693D+01
      3   0.723998D-01  0.178322D+00 -0.318092D+00 -0.386409D+00  0.975464D+00
                96            97            98            99           100 
      1  -0.386409D+00  0.731362D+00 -0.529398D-01 -0.707980D+00 -0.317544D-01
      2   0.975464D+00 -0.529398D-01  0.929303D+00  0.666616D+00  0.885016D+00
      3   0.108374D+01 -0.707980D+00  0.666616D+00  0.904441D+00  0.789295D+00
               101           102           103           104           105 
      1   0.885016D+00  0.789295D+00  0.965168D+00 -0.155159D+00  0.424241D+00
      2   0.454774D+00  0.587411D+00 -0.155159D+00  0.979692D+00  0.419376D+00
      3   0.587411D+00  0.153238D+01  0.424241D+00  0.419376D+00  0.283731D+00
               106           107           108           109           110 
      1   0.206366D+01  0.219016D+00  0.174442D+01  0.107621D+01  0.158726D+01
      2   0.219016D+00  0.192956D+01  0.876486D+00  0.158726D+01  0.284958D+01
      3   0.174442D+01  0.876486D+00  0.482826D+01 -0.284891D+00 -0.558375D+00
               111           112           113           114           115 
      1  -0.284891D+00  0.242792D+01  0.244650D+01 -0.589521D+00 -0.113431D+01
      2  -0.558375D+00  0.244650D+01  0.604451D+01 -0.120829D+01 -0.985001D+00
      3   0.643292D+00 -0.589521D+00 -0.120829D+01  0.130514D+01  0.677129D+00
               116           117           118           119           120 
      1  -0.985001D+00  0.677129D+00 -0.469225D+01 -0.199977D+01  0.174318D+01
      2  -0.272691D+01  0.142914D+01 -0.199977D+01 -0.176790D+01  0.134727D+01
      3   0.142914D+01 -0.113541D+01  0.174318D+01  0.134727D+01 -0.270294D+01
               121           122           123           124           125 
      1  -0.220245D+01 -0.108798D+01  0.818584D+00  0.129589D+01  0.788108D+00
      2  -0.108798D+01 -0.205876D+01  0.151423D+01  0.788108D+00  0.111252D+01
      3   0.818584D+00  0.151423D+01 -0.120529D+01 -0.138302D+01 -0.711175D+00
               126           127           128           129           130 
      1  -0.138302D+01  0.460348D+01 -0.324579D+01  0.176558D+01 -0.322534D+01
      2  -0.711175D+00 -0.324579D+01  0.323066D+01 -0.113827D+01  0.283613D+01
      3   0.161617D+01  0.176558D+01 -0.113827D+01  0.176722D+01 -0.962132D+00
               131           132           133           134           135 
      1   0.283613D+01 -0.962132D+00  0.764474D+00 -0.497909D+00  0.977383D+00
      2  -0.404343D+01  0.177761D+01 -0.497909D+00  0.951486D+00 -0.688831D+00
      3   0.177761D+01 -0.128063D+01  0.977383D+00 -0.688831D+00  0.729899D+00
               136           137           138           139           140 
      1   0.947158D+00  0.130120D-01  0.123290D+01  0.737752D+00  0.751059D+00
      2   0.130120D-01  0.100646D+01  0.348579D+00  0.751059D+00  0.308753D+01
      3   0.123290D+01  0.348579D+00  0.104281D+01  0.692065D+00  0.200474D+01
               141           142           143           144           145 
      1   0.692065D+00  0.120419D+01  0.196232D+00  0.753863D+00  0.192982D+00
      2   0.200474D+01  0.196232D+00  0.207363D+01  0.178953D+01 -0.101844D+00
      3   0.348781D+01  0.753863D+00  0.178953D+01  0.386012D+01 -0.739426D+00
               146           147           148           149           150 
      1  -0.101844D+00 -0.739426D+00 -0.128856D-01  0.633666D+00 -0.242602D+00
      2   0.103993D+00  0.125318D+00  0.633666D+00  0.102788D+01 -0.113178D+01
      3   0.125318D+00 -0.975846D-01 -0.242602D+00 -0.113178D+01  0.169226D+01
               151           152           153           154           155 
      1  -0.204930D+01 -0.316168D+00  0.169100D+01  0.130025D+01  0.937912D+00
      2  -0.316168D+00 -0.148436D+01  0.195938D+01  0.937912D+00  0.133739D+01
      3   0.169100D+01  0.195938D+01 -0.893112D+01  0.703362D+00  0.414072D+00
               156           157           158           159           160 
      1   0.703362D+00  0.230255D+01  0.199630D+01  0.287129D+00  0.194067D+01
      2   0.414072D+00  0.199630D+01  0.506585D+01  0.144519D+01  0.834320D+00
      3   0.340961D+00  0.287129D+00  0.144519D+01  0.181338D+01  0.578313D+00
               161           162           163           164           165 
      1   0.834320D+00  0.578313D+00  0.768998D+01 -0.289739D+01 -0.573752D-01
      2   0.222793D+01  0.149937D+01 -0.289739D+01  0.225671D+01  0.366553D-01
      3   0.149937D+01  0.101805D+01 -0.573752D-01  0.366553D-01  0.992318D+00
               166           167           168           169           170 
      1  -0.476305D+01  0.265175D+01  0.302203D+00  0.110779D+01 -0.101356D+00
      2   0.265175D+01 -0.231165D+01  0.279040D+00 -0.101356D+00  0.502137D+00
      3   0.302203D+00  0.279040D+00 -0.765304D+00  0.962421D+00 -0.237966D+00
               171 
      1   0.962421D+00
      2  -0.237966D+00
      3  -0.407996D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.293635D+01  0.226368D+01  0.110561D+01  0.284636D+01  0.222478D+01
      2  -0.737034D+01  0.742623D+00  0.116402D+01  0.157485D+01 -0.862944D+01
      3  -0.117696D+02  0.594110D+01  0.298855D+01  0.126411D+02  0.722685D+01
                 6             7             8             9            10 
      1   0.599774D+00  0.191177D+01  0.421797D+01  0.758455D-01  0.335598D+01
      2  -0.866313D+01 -0.633638D+01 -0.938654D+01  0.177715D+02  0.707419D+01
      3   0.554189D+01  0.106605D+01  0.651360D+01  0.819819D+01  0.469229D+01
                11            12            13            14            15 
      1  -0.404801D+00 -0.264625D+00 -0.395480D+00  0.334609D+01 -0.259670D+01
      2  -0.992667D+00  0.364175D+01 -0.193800D+01  0.408531D+01  0.366742D+01
      3  -0.250322D+01 -0.177448D+01  0.410081D+01 -0.587550D+01 -0.509404D+01
                16            17            18            19            20 
      1  -0.893839D-01  0.401890D+01 -0.300167D+01 -0.346275D+01  0.784100D+00
      2  -0.371204D+01  0.432800D+01 -0.396319D+01 -0.129058D+01  0.135919D+01
      3  -0.206257D+01 -0.409358D+01 -0.429360D+01  0.162839D+01 -0.417762D+01
                21            22            23            24            25 
      1  -0.104484D+01  0.470995D+00  0.941054D+00  0.123623D+01 -0.157607D+01
      2   0.105516D+01  0.488824D+01 -0.207428D+01  0.256300D+01 -0.330587D+01
      3   0.672200D+00  0.102340D+01 -0.302664D+01  0.142316D+01 -0.129032D+01
                26            27            28            29            30 
      1   0.549783D+01  0.634629D+00  0.123561D+01  0.122836D+01  0.311889D+00
      2   0.982991D+00 -0.221729D+01 -0.550342D+01  0.402912D+00 -0.471040D+01
      3   0.116314D+01  0.636007D+00 -0.751053D+01  0.114486D-01 -0.120596D+01
                31            32            33            34            35 
      1   0.264090D+01 -0.553485D+01  0.673509D+01  0.134233D+01  0.673130D+01
      2   0.550873D+01 -0.361884D-01 -0.274258D+01 -0.177633D+02 -0.285070D+01
      3   0.950761D+00  0.120352D+02 -0.426080D-01 -0.301534D+01 -0.354151D+00
                36            37            38            39            40 
      1   0.521643D+01 -0.150960D+01 -0.256268D+01  0.225635D+01 -0.183292D+01
      2   0.349192D+01  0.587068D+00  0.244178D+01  0.876910D+01  0.187088D+01
      3   0.968299D+00 -0.377366D+01 -0.146470D+02 -0.128654D+01 -0.116580D+02
                41            42            43            44            45 
      1  -0.173885D+01 -0.372551D+01  0.122239D-01  0.226948D+01 -0.143701D+01
      2   0.195117D+01  0.834518D+00  0.633397D+01  0.363240D+00 -0.532295D+01
      3  -0.110890D+02 -0.129651D+01 -0.441031D+00 -0.425917D-01  0.931729D+00
                46            47            48            49            50 
      1   0.423803D+01 -0.422907D+01 -0.892943D+00 -0.344379D+01 -0.422596D+01
      2  -0.568491D+01 -0.949802D+01  0.938680D+01 -0.777290D+01 -0.156672D+01
      3  -0.746117D+01 -0.468813D+01  0.521459D+01 -0.123615D+01  0.399473D+01
                51            52            53            54            55 
      1  -0.118856D+02 -0.142390D+01 -0.680992D+01 -0.185645D+01  0.430195D+00
      2  -0.266702D+01  0.244589D+01 -0.303496D+01  0.212188D+01  0.556964D+00
      3   0.500337D+01  0.399256D+01  0.455969D+01  0.413092D+01 -0.328379D+01
                56            57            58            59            60 
      1  -0.316835D+01  0.604476D+01 -0.306912D+01 -0.776073D+01 -0.455238D+01
      2   0.208204D+01  0.600780D+01 -0.157201D+00  0.173365D+00 -0.137698D+01
      3  -0.110246D+02 -0.179545D+01  0.145730D+01 -0.301489D+01  0.181116D+01
                61            62            63            64            65 
      1   0.674560D+01  0.422456D+01  0.491605D+01  0.385234D+00  0.991090D+00
      2  -0.175247D+01 -0.108015D+01  0.199754D+01  0.124472D+01  0.368437D+00
      3   0.713985D+00  0.377644D+01 -0.577045D+01 -0.822968D+00 -0.467028D+01
                66            67            68            69            70 
      1  -0.228605D+01  0.188297D+00  0.496058D+01 -0.997644D+01 -0.513664D+00
      2   0.490726D+01 -0.583678D+01  0.159765D+01  0.544728D+01  0.132304D+01
      3  -0.714623D+00  0.890397D+01 -0.197257D+02 -0.228196D+01  0.150294D+01
                71            72            73            74            75 
      1   0.189083D+01 -0.211499D+01  0.622838D+00 -0.380568D+00  0.139799D+00
      2   0.566354D+01  0.295449D+01  0.109562D+01 -0.177266D+00  0.147349D+00
      3  -0.222760D+01 -0.546220D+01  0.551633D+00 -0.406513D+00 -0.484353D+00
                76            77            78            79            80 
      1  -0.265366D+00 -0.172998D+01 -0.712600D+00  0.232506D+00  0.276922D+01
      2  -0.242631D+00  0.437032D+00 -0.366445D+00 -0.373486D+01  0.232737D-01
      3   0.145351D+01  0.397070D+00 -0.268136D+00 -0.953264D+00 -0.483907D+00
                81            82            83            84            85 
      1   0.209958D+01 -0.967944D+00  0.117755D+00 -0.238191D+00 -0.179900D+00
      2   0.873846D+00 -0.246573D+01 -0.259839D+00 -0.121462D+00 -0.160202D+01
      3   0.356096D-01  0.219114D+01  0.464537D+00  0.122820D+01  0.443807D+01
                86            87            88            89            90 
      1   0.106543D+01 -0.322039D+01  0.779768D-03  0.745664D+00 -0.103320D+01
      2  -0.259234D+01 -0.300377D+01 -0.278413D+01 -0.251335D+01 -0.229432D+01
      3   0.737461D+01  0.331979D+01  0.249233D+01  0.320159D+01  0.302832D+01
                91            92            93            94            95 
      1   0.145484D+01  0.156277D+01  0.139134D+01  0.186498D+01  0.222802D+01
      2  -0.247893D+01 -0.220605D+01 -0.152708D+01 -0.232996D+01 -0.418644D+01
      3   0.689465D+01  0.857629D+01  0.787845D+00  0.123121D+02  0.168079D+02
                96            97            98            99           100 
      1  -0.419407D+00  0.120716D+01  0.161566D+01 -0.267603D+00 -0.144970D+01
      2  -0.345125D+01 -0.205484D+01 -0.239421D+01 -0.129457D+01 -0.105715D+01
      3   0.296149D+01  0.130241D+01  0.229165D+01  0.454214D+00  0.894931D+00
               101           102           103           104           105 
      1  -0.403532D+00 -0.438468D+01 -0.104599D+01 -0.256411D+00 -0.608629D+00
      2  -0.777931D+00 -0.566675D+00 -0.782741D+00  0.119804D+00  0.649226D-01
      3   0.104586D+01  0.196172D+01  0.215032D+01 -0.387041D+00  0.785223D+00
               106           107           108           109           110 
      1  -0.512920D+01  0.820507D+00 -0.109942D+02  0.106599D+01  0.257973D+01
      2  -0.374656D+01  0.126726D+00 -0.195752D+01  0.316418D+00 -0.247902D+00
      3   0.520323D+01 -0.330822D-01  0.474253D+01  0.399700D+01  0.316685D+01
               111           112           113           114           115 
      1  -0.264847D+01  0.296385D+01  0.464471D+01 -0.428424D+01 -0.246098D+01
      2   0.174972D+00 -0.257653D+00 -0.383322D+00  0.617960D+00 -0.974779D+00
      3  -0.935242D+00  0.799399D+01  0.603517D+01 -0.202184D+01 -0.393071D+01
               116           117           118           119           120 
      1  -0.314481D+01  0.293036D+01 -0.170366D+01 -0.234281D+01 -0.185921D+01
      2   0.206596D+00 -0.237251D+00  0.118425D+02  0.461912D+01 -0.346570D+01
      3  -0.293254D+01  0.205025D+01  0.967027D+01  0.282190D+01 -0.304700D+01
               121           122           123           124           125 
      1  -0.121196D+01 -0.148669D+01 -0.931356D-01 -0.444934D+00  0.225680D+01
      2   0.509799D+01  0.330668D+01 -0.188046D+01 -0.511745D+01 -0.210802D+01
      3   0.555817D+01  0.295122D+01 -0.256087D+01 -0.244726D+01 -0.153959D+01
               126           127           128           129           130 
      1   0.674901D+00 -0.296763D+01  0.439901D+01  0.166871D+01  0.325722D+01
      2   0.337413D+01 -0.476901D+01  0.304649D+01  0.238625D+01  0.430755D+01
      3   0.256953D+01 -0.135179D+01 -0.297229D+01  0.134708D-01  0.157287D+01
               131           132           133           134           135 
      1  -0.404310D+01 -0.657936D+00  0.132370D+00  0.188437D+01 -0.931860D-01
      2  -0.168283D+01 -0.135349D+01 -0.136062D+01  0.209982D+00 -0.145696D+00
      3   0.342078D+01 -0.154115D+01 -0.671226D+00 -0.105386D+01 -0.248615D+00
               136           137           138           139           140 
      1   0.952207D+00  0.253492D+01  0.106998D+01  0.170752D+01  0.101996D+02
      2   0.715530D-01  0.532014D+00  0.477098D+00 -0.141717D+01  0.204771D+01
      3   0.111943D-01 -0.248706D+01 -0.131561D+01  0.105317D+00 -0.627514D+01
               141           142           143           144           145 
      1   0.523744D+01  0.100194D+01  0.816668D+01  0.615599D+01  0.191682D+00
      2   0.438606D+01 -0.260105D+01  0.213115D+01  0.403816D+01 -0.230552D+01
      3  -0.344797D+01 -0.483376D+00 -0.365108D+01 -0.315395D+01  0.298564D+00
               146           147           148           149           150 
      1   0.466104D-01 -0.134727D+00 -0.348551D+00 -0.136280D+01 -0.518557D+00
      2  -0.725405D-01  0.306375D+00  0.599074D-01 -0.201986D+01  0.464649D+01
      3  -0.993910D+00 -0.261650D+00 -0.389967D+00 -0.282323D+01  0.261620D+01
               151           152           153           154           155 
      1  -0.659341D-01  0.374721D+01  0.871633D+00 -0.105958D+01 -0.127810D+01
      2  -0.113443D+01  0.492230D+01 -0.220699D+02  0.312206D+01  0.183102D+01
      3  -0.332422D+00  0.419425D+01 -0.510608D+01 -0.290105D+01 -0.415615D+01
               156           157           158           159           160 
      1  -0.995173D+00 -0.140717D+01 -0.394488D+01 -0.415817D+01 -0.820057D+00
      2   0.221540D+01  0.173682D+01  0.640818D+01  0.644550D+01  0.900445D+00
      3  -0.799828D+00 -0.210396D+01 -0.157139D+02 -0.482480D+01 -0.658831D+00
               161           162           163           164           165 
      1  -0.898680D+00 -0.228173D+01  0.212461D+01 -0.173812D+01  0.760469D+00
      2   0.494921D+01  0.393463D+01  0.601379D+01 -0.248212D+01  0.508340D+01
      3  -0.734797D+01 -0.431293D+01  0.800043D+01 -0.953040D+01  0.413456D-01
               166           167           168           169           170 
      1  -0.173914D+01  0.176278D+01 -0.173023D+01 -0.185128D-01  0.225590D+00
      2  -0.270792D+01  0.304452D+01 -0.316803D+01  0.224728D+01 -0.582442D+00
      3  -0.614542D+01  0.773091D+01 -0.108346D+01  0.128416D-01 -0.194042D+01
               171 
      1   0.217469D+00
      2  -0.543675D-01
      3   0.602210D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.892860D+01  0.242723D+02 -0.120946D+02  0.291371D+02 -0.157537D+02
      2   0.140431D+01 -0.135111D+02  0.562385D+01 -0.160546D+02  0.224557D+01
      3   0.752429D+01 -0.107612D+02  0.647075D+01 -0.130826D+02  0.135081D+02
      4   0.263480D+02 -0.136456D+02 -0.525603D+01 -0.198850D+02 -0.112777D+02
      5  -0.111045D+02 -0.830396D+01  0.491122D+01 -0.100403D+02 -0.101517D+02
      6  -0.493860D+01  0.203077D+01  0.102274D+00  0.139960D+01 -0.936678D+00
                 6             7             8             9            10 
      1  -0.858736D+01 -0.142023D+02 -0.617000D+01  0.116710D+02 -0.759001D+01
      2  -0.249451D+01  0.378295D+01 -0.454154D+01  0.702848D+01  0.235364D+01
      3   0.110819D+02  0.104193D+02  0.107115D+02 -0.186995D+02  0.523638D+01
      4  -0.115857D+02 -0.458035D+01 -0.130806D+02 -0.125918D+02 -0.113889D+02
      5  -0.129483D+02  0.665990D+00 -0.134210D+02  0.264763D+02  0.117034D+02
      6  -0.197961D+00 -0.110310D+01 -0.360334D+00  0.560658D+01 -0.433790D+01
                11            12            13            14            15 
      1  -0.105549D+02  0.101614D+02 -0.150312D+02  0.982754D+01  0.674547D+01
      2   0.510762D+01 -0.673308D+01  0.806292D+01 -0.793105D+01 -0.102223D+02
      3   0.544729D+01 -0.342831D+01  0.696832D+01 -0.189648D+01  0.347679D+01
      4   0.381691D+01  0.198961D+01  0.990070D+01  0.513584D+01  0.547072D+01
      5   0.384267D+01 -0.176727D+01  0.721219D+01  0.611520D+01  0.695507D+01
      6   0.149735D+01 -0.662088D+00  0.756648D+00 -0.961938D+01 -0.358162D+01
                16            17            18            19            20 
      1   0.133734D+02  0.492140D+01  0.509148D+01 -0.780702D+01 -0.721326D+00
      2  -0.665738D+01 -0.347394D+01 -0.452149D+01  0.983028D+01  0.200862D+00
      3  -0.671600D+01 -0.144746D+01 -0.569990D+00 -0.202327D+01  0.520463D+00
      4   0.502580D+01  0.498080D+01  0.872003D+01 -0.127304D+01  0.419062D+01
      5  -0.528729D+00  0.863201D+01 -0.101773D+02 -0.244968D+01 -0.871233D-01
      6   0.774132D+00 -0.586601D+01  0.203595D+01  0.347558D+01 -0.261111D+01
                21            22            23            24            25 
      1   0.967693D-01  0.695800D+01  0.383870D+01 -0.129781D+01 -0.456435D+01
      2   0.202233D+01 -0.256277D+01 -0.670582D+01 -0.341414D+01  0.343394D+01
      3  -0.211910D+01 -0.439523D+01  0.286712D+01  0.471195D+01  0.113041D+01
      4   0.130714D+01 -0.718822D+01  0.636531D+01  0.936775D+00 -0.461895D+01
      5   0.582104D+00 -0.265956D+01  0.760540D+00  0.349846D+01 -0.932796D+00
      6   0.808371D+00 -0.659614D+00  0.430830D+00 -0.546825D+01 -0.810251D+00
                26            27            28            29            30 
      1  -0.544221D+00  0.995730D+01 -0.680531D+01  0.113520D+02  0.212337D+01
      2  -0.970931D+01  0.757479D+01  0.818624D+00 -0.889955D+01 -0.650776D+01
      3   0.102535D+02 -0.175321D+02  0.598669D+01 -0.245241D+01  0.438439D+01
      4   0.109853D+01 -0.824337D-01  0.583702D+01 -0.831341D+01 -0.299807D+01
      5  -0.140310D+01  0.773122D+00  0.373880D+01 -0.320827D+01 -0.748148D+01
      6  -0.350901D+01  0.879058D+01 -0.158936D+01 -0.261928D+01 -0.128227D+01
                31            32            33            34            35 
      1   0.169959D+01  0.759999D+01  0.294892D+01  0.359002D+01 -0.136585D+01
      2  -0.422375D+01 -0.170853D+02  0.472093D+01 -0.437594D+01 -0.230915D+01
      3   0.252417D+01  0.948530D+01 -0.766985D+01  0.785928D+00  0.367500D+01
      4  -0.184996D+02 -0.236601D+02 -0.566112D+01 -0.982117D+01 -0.283264D+01
      5  -0.951063D+01 -0.758223D+01 -0.544133D+01 -0.170456D+00 -0.396849D+01
      6  -0.328011D+01 -0.859314D+01 -0.109838D+02 -0.317109D+01  0.169423D+01
                36            37            38            39            40 
      1  -0.416631D+01  0.502047D+02 -0.729268D+01 -0.524313D+01  0.644371D+01
      2  -0.309862D+01 -0.298595D+02  0.150924D+01  0.660954D+01 -0.724253D+01
      3   0.726493D+01 -0.203451D+02  0.578344D+01 -0.136641D+01  0.798819D+00
      4  -0.480958D+01 -0.165563D+02  0.157843D+02  0.229230D+01  0.169597D+02
      5   0.400363D+01 -0.934834D+01  0.145009D+01  0.162463D+02  0.445679D+00
      6  -0.725967D+01 -0.701980D+00 -0.692767D-01 -0.274688D+01 -0.165106D+01
                41            42            43            44            45 
      1   0.118920D+02 -0.275032D+00 -0.330824D+01  0.286044D+01  0.640231D+01
      2  -0.501329D+01 -0.169374D+01  0.312601D+01 -0.180204D+01 -0.101102D+02
      3  -0.687869D+01  0.196877D+01  0.182230D+00 -0.105839D+01  0.370790D+01
      4  -0.193840D+00 -0.527116D+00  0.439599D+01 -0.737613D+00 -0.320740D+01
      5  -0.327962D+00 -0.799883D+00  0.152750D+02 -0.348049D+01 -0.117161D+02
      6  -0.124701D+01  0.621634D+01 -0.106830D+01  0.426366D+01  0.157454D+01
                46            47            48            49            50 
      1   0.897549D+01  0.140420D+02 -0.937210D+01  0.132946D+02 -0.304851D+01
      2  -0.100579D+02 -0.134355D-01  0.521388D+01  0.658585D+00  0.594648D+01
      3   0.108237D+01 -0.140285D+02  0.415822D+01 -0.139531D+02 -0.289797D+01
      4   0.121542D+02 -0.172373D+02  0.576569D+01 -0.179877D+02  0.364712D+01
      5  -0.603872D+01  0.939552D+01 -0.540867D+01  0.789175D+01 -0.128319D+02
      6   0.162992D+02 -0.513294D+01 -0.352622D+01 -0.572066D+01  0.140704D+01
                51            52            53            54            55 
      1   0.316780D+01 -0.779992D+01  0.211220D+01 -0.691240D+01  0.163252D+02
      2   0.128369D+02  0.398911D+01  0.101691D+02  0.162184D+01 -0.126947D+02
      3  -0.160047D+02  0.381080D+01 -0.122813D+02  0.529056D+01 -0.363046D+01
      4  -0.861167D+01  0.325376D+01 -0.550660D+01 -0.961982D+01 -0.184514D+01
      5  -0.107180D+02 -0.644590D+01 -0.111996D+02  0.670701D+01 -0.103017D+01
      6  -0.757143D+01 -0.370664D+01 -0.468161D+01 -0.119256D+02 -0.952808D+00
                56            57            58            59            60 
      1   0.720335D+01 -0.617254D-01  0.520995D+01 -0.977357D+01 -0.653599D+01
      2  -0.130703D+02  0.394717D+01 -0.122244D+02  0.127385D+02  0.103413D+02
      3   0.586693D+01 -0.388545D+01  0.701445D+01 -0.296496D+01 -0.380529D+01
      4  -0.296784D+01 -0.140463D+01  0.307511D+01 -0.139646D+02  0.220974D+00
      5  -0.122221D-02  0.247771D+01  0.435779D+00 -0.599100D+00 -0.270319D+01
      6   0.255311D+01 -0.823587D+01  0.169905D+01  0.125511D+02  0.628556D+01
                61            62            63            64            65 
      1  -0.234712D+01 -0.744869D+01  0.499909D+00  0.105171D+02  0.557209D+01
      2   0.661313D+01  0.139466D+02  0.131149D+01 -0.219452D+01  0.141356D+01
      3  -0.426601D+01 -0.649788D+01 -0.181140D+01 -0.832259D+01 -0.698565D+01
      4   0.290407D+00  0.137969D+01 -0.842623D+01  0.163026D+02  0.189724D+02
      5   0.343047D+01 -0.219838D+01 -0.380307D+01  0.688069D+01  0.582159D+01
      6  -0.918891D+01  0.282236D+01 -0.449807D+01  0.355651D+01  0.338156D+01
                66            67            68            69            70 
      1   0.115832D+01  0.852024D+01 -0.212657D+02 -0.611963D+01  0.295312D+01
      2  -0.784909D+00  0.151287D+01  0.395883D+02  0.174087D+01 -0.958176D+00
      3  -0.373411D+00 -0.100331D+02 -0.183227D+02  0.437876D+01 -0.199494D+01
      4   0.489923D+01  0.240066D+02  0.451167D+02  0.940985D+01  0.546524D+01
      5   0.923535D+01  0.671302D+01  0.112892D+02  0.115526D+02  0.101432D+02
      6   0.434441D+01  0.541113D+01  0.134475D+02  0.171460D+02  0.532482D+01
                71            72            73            74            75 
      1  -0.467743D+01 -0.581100D+01  0.101060D+01  0.608349D+00 -0.260089D+00
      2   0.250455D+01  0.579992D+00 -0.363706D+01 -0.570416D+00 -0.405695D+00
      3   0.217289D+01  0.523100D+01  0.262646D+01 -0.379329D-01  0.665784D+00
      4   0.697188D+01  0.126277D+02 -0.258239D+00  0.171484D+01 -0.189448D+01
      5   0.128850D+02  0.103642D+02  0.262156D+00 -0.129182D+01  0.536668D+01
      6   0.142815D+02  0.977607D+01 -0.201490D+01  0.789784D+00 -0.652803D-01
                76            77            78            79            80 
      1   0.281417D+00 -0.537565D+01  0.336465D+01  0.552292D+00  0.539632D+01
      2   0.270289D+00  0.188985D+01 -0.544813D+00  0.333434D+00  0.433365D+00
      3  -0.551706D+00  0.348579D+01 -0.281984D+01 -0.885726D+00 -0.582968D+01
      4   0.258311D+01 -0.114159D+01  0.519033D+00 -0.539799D+00  0.948538D+00
      5  -0.614773D+00  0.481928D-01 -0.748595D+00  0.546321D+01  0.186400D+00
      6   0.897127D+00 -0.411192D+01  0.852397D+01  0.308325D+00  0.779760D+01
                81            82            83            84            85 
      1  -0.185318D+02 -0.345228D+00 -0.989436D+00 -0.271648D+01 -0.286611D+01
      2  -0.130495D+02  0.220250D+01  0.767399D+00  0.188387D+01  0.216438D+01
      3   0.315813D+02 -0.185727D+01  0.222038D+00  0.832604D+00  0.701729D+00
      4  -0.489314D+00 -0.289424D+00  0.324651D+01  0.137609D+01  0.254081D+01
      5   0.114188D+01 -0.202003D+01  0.122397D+01  0.204051D+01  0.101235D+01
      6  -0.134050D+02  0.294214D+01  0.482148D+00  0.759955D+00  0.648404D+00
                86            87            88            89            90 
      1  -0.133855D+02 -0.503775D+01 -0.430232D+01 -0.615272D+01 -0.728161D+01
      2   0.178498D+02  0.674483D+01  0.232235D+01  0.431815D+01  0.209876D+01
      3  -0.446430D+01 -0.170707D+01  0.197997D+01  0.183457D+01  0.518285D+01
      4  -0.111251D+02 -0.445497D+01 -0.702862D-01 -0.482874D+01 -0.419009D+01
      5  -0.445305D+01 -0.605482D+01  0.267619D+01 -0.447316D+01 -0.378126D+01
      6   0.120197D+02  0.994884D+01  0.963387D+00  0.102842D+02  0.903602D+01
                91            92            93            94            95 
      1  -0.116376D+02 -0.401461D+01  0.595522D-01 -0.170737D+02 -0.608014D+01
      2   0.105248D+02  0.679078D+00  0.175701D-02  0.101069D+02  0.855788D+01
      3   0.111282D+01  0.333553D+01 -0.613092D-01  0.696672D+01 -0.247774D+01
      4  -0.460303D+01  0.121535D+01  0.148878D+00  0.610220D+01 -0.157926D+02
      5   0.657714D+00  0.648707D+00 -0.130846D+01  0.278205D+01 -0.302100D+01
      6   0.102427D+01 -0.664413D+00 -0.217631D+01 -0.621243D+00  0.285567D+01
                96            97            98            99           100 
      1  -0.362644D-01 -0.164730D+01 -0.151527D+01 -0.792706D+00 -0.164640D+01
      2   0.655959D+00  0.127996D+01  0.130107D+01 -0.357059D+00  0.127443D+01
      3  -0.619694D+00  0.367342D+00  0.214201D+00  0.114976D+01  0.371972D+00
      4  -0.399189D+01  0.969353D+00 -0.327412D+01 -0.335902D+01  0.191654D+01
      5  -0.518908D+01  0.349769D+01 -0.295023D+01 -0.293083D+01  0.126880D+01
      6   0.180826D+01 -0.162312D+01  0.292453D+01  0.179902D+01  0.368514D+01
               101           102           103           104           105 
      1  -0.161782D+01 -0.196919D+01  0.100404D+01 -0.291232D+01 -0.779334D+00
      2   0.214940D+01 -0.212964D-01 -0.855148D+00  0.348322D+01  0.978675D+00
      3  -0.531584D+00  0.199048D+01 -0.148888D+00 -0.570900D+00 -0.199341D+00
      4   0.312891D+01  0.300674D+01  0.265844D+01  0.174652D+01  0.158781D+01
      5   0.171019D+01  0.277956D+01  0.196317D+01  0.421643D+00  0.161596D+01
      6   0.202852D+01  0.669719D+01  0.124291D+01  0.233256D+01  0.287806D+01
               106           107           108           109           110 
      1  -0.182599D+01 -0.419487D+01 -0.776702D+01 -0.179333D+01 -0.682378D+01
      2  -0.182831D+01  0.498749D+01 -0.424919D+01  0.586051D+01  0.141576D+02
      3   0.365430D+01 -0.792616D+00  0.120162D+02 -0.406718D+01 -0.733382D+01
      4   0.634813D+01  0.222997D+01  0.542509D+01  0.488679D+01  0.893162D+01
      5   0.335132D+01  0.152195D+01  0.481777D+01 -0.130425D+01 -0.107631D+01
      6   0.637459D+01  0.522249D+01  0.159554D+02 -0.237093D+01 -0.370163D+01
               111           112           113           114           115 
      1   0.614795D+00 -0.566018D+01 -0.165590D+02  0.344567D+01  0.255605D+01
      2  -0.275580D+01  0.115566D+02  0.312132D+02 -0.693680D+01 -0.443851D+01
      3   0.214100D+01 -0.589640D+01 -0.146543D+02  0.349113D+01  0.188246D+01
      4  -0.175105D+01  0.965407D+01  0.113272D+02 -0.317141D+01 -0.335553D+01
      5   0.201209D+01  0.131674D+00 -0.134886D+01  0.796409D+00  0.186550D+01
      6   0.322848D+01 -0.374462D+01 -0.844811D+01  0.649244D+01  0.382596D+01
               116           117           118           119           120 
      1   0.753565D+01 -0.469964D+01 -0.971680D+01 -0.953381D+01  0.109473D+02
      2  -0.124000D+02  0.565018D+01  0.542360D+01  0.647590D+01 -0.103951D+01
      3   0.486437D+01 -0.950536D+00  0.429320D+01  0.305791D+01 -0.990782D+01
      4  -0.454828D+01  0.322441D+01  0.701438D+01  0.417556D+01 -0.238136D+01
      5   0.142275D+01 -0.100952D+01 -0.952322D+01 -0.396768D+01  0.322577D+01
      6   0.945739D+01 -0.609288D+01 -0.793942D+01 -0.816916D+01  0.881497D+01
               121           122           123           124           125 
      1  -0.807510D+01 -0.867165D+01  0.640397D+01  0.702816D+01  0.513542D+01
      2   0.530380D+01  0.776029D+01 -0.342835D+01 -0.725740D+00 -0.263108D+01
      3   0.277130D+01  0.911360D+00 -0.297562D+01 -0.630243D+01 -0.250434D+01
      4   0.591847D+01  0.762503D+00  0.139329D+00 -0.214487D+01 -0.554014D+00
      5  -0.499139D+01 -0.404430D+00  0.147641D+01  0.554103D+01  0.232833D+01
      6  -0.498620D+01 -0.856254D+01  0.820442D+01  0.579689D+01  0.688594D+01
               126           127           128           129           130 
      1  -0.793941D+01  0.163872D+02 -0.672748D+01  0.183572D+01 -0.731767D+01
      2  -0.853178D+00 -0.395993D+01 -0.342753D+01 -0.304810D+01 -0.259579D+01
      3   0.879259D+01 -0.124273D+02  0.101550D+02  0.121238D+01  0.991346D+01
      4   0.279380D+01 -0.224596D+02  0.203848D+02 -0.786595D+01  0.193696D+02
      5  -0.286583D+01  0.167972D+02 -0.116597D+02  0.120334D+02 -0.112446D+02
      6  -0.595437D+01 -0.107383D+02  0.109243D+02 -0.713422D+01  0.894674D+01
               131           132           133           134           135 
      1  -0.654674D+00  0.141358D+01  0.418549D+00  0.100434D+01  0.194010D+00
      2   0.104067D+02 -0.142043D+01 -0.193306D+01 -0.270278D+00 -0.171002D+01
      3  -0.975208D+01  0.684819D-02  0.151451D+01 -0.734059D+00  0.151601D+01
      4  -0.213048D+02  0.784664D+01 -0.354801D+01  0.408772D+01 -0.501791D+01
      5   0.113759D+02 -0.700582D+01  0.820477D+01 -0.486090D+01  0.527481D+01
      6  -0.132533D+02  0.980488D+01 -0.492144D+01  0.725535D+01 -0.407977D+01
               136           137           138           139           140 
      1   0.175164D+01  0.474340D+00  0.231805D+01  0.221917D+01 -0.167895D+01
      2  -0.338414D+01 -0.227552D+01 -0.476387D+01 -0.396802D+01 -0.435324D+01
      3   0.163250D+01  0.180118D+01  0.244583D+01  0.174885D+01  0.603219D+01
      4   0.985883D+00  0.536513D+01  0.801032D+00  0.454297D+01  0.790673D+01
      5   0.612795D+01  0.210834D+01  0.821446D+01  0.559235D+01  0.823235D+01
      6   0.142135D+00  0.322822D+01  0.137322D+01  0.258398D+01  0.109036D+02
               141           142           143           144           145 
      1  -0.533196D+01  0.219166D+01 -0.298470D+01 -0.739350D+01  0.181116D+01
      2  -0.996216D+01 -0.449700D+01 -0.664463D+01 -0.127191D+02 -0.316265D+01
      3   0.152941D+02  0.230534D+01  0.962934D+01  0.201126D+02  0.135149D+01
      4   0.573237D+01  0.275049D+00  0.505506D+01  0.501749D+01 -0.765156D+00
      5   0.121127D+02  0.761762D+01  0.609761D+01  0.128356D+02 -0.341914D+01
      6   0.764218D+01  0.115125D+01  0.892245D+01  0.642336D+01 -0.639336D+00
               146           147           148           149           150 
      1  -0.630274D+00 -0.497739D+01 -0.559438D+00 -0.651979D+00  0.285023D+01
      2   0.364286D+00  0.233808D+01 -0.207624D+00 -0.528869D+00  0.169570D+01
      3   0.265988D+00  0.263931D+01  0.767062D+00  0.118085D+01 -0.454592D+01
      4   0.242343D+01 -0.962993D+00  0.508972D+01  0.498283D+01 -0.515093D+01
      5  -0.647988D+00  0.582872D+01 -0.194808D+01 -0.495029D+01  0.889064D+01
      6  -0.107581D+00  0.316178D+00 -0.132522D+01 -0.336670D+01  0.761847D+01
               151           152           153           154           155 
      1  -0.866062D+01  0.302877D+01 -0.130505D+02  0.940249D+01  0.465739D+01
      2   0.849946D+01  0.160497D+01 -0.185732D+02 -0.184941D+01  0.212606D+00
      3   0.161160D+00 -0.463374D+01  0.316237D+02 -0.755308D+01 -0.487000D+01
      4  -0.289853D+01 -0.710809D+01  0.832116D+01  0.612316D+01  0.117224D+02
      5   0.146261D+02  0.903297D+01 -0.427155D+02  0.316441D+01  0.293728D+01
      6   0.103138D+01  0.787134D+01 -0.809333D+01  0.123482D+01 -0.548655D+00
               156           157           158           159           160 
      1   0.394491D+01  0.108502D+02  0.542623D+01  0.179497D+01  0.103063D+02
      2  -0.102637D+01 -0.236159D+01  0.937760D+01  0.330535D+01 -0.413357D+01
      3  -0.291853D+01 -0.848866D+01 -0.148038D+02 -0.510032D+01 -0.617275D+01
      4   0.392170D+01  0.163883D+02  0.288406D+02  0.805644D+01  0.697256D+01
      5   0.312717D+01  0.198859D+01  0.782487D+01  0.105199D+02  0.431017D+01
      6   0.421945D+00 -0.215556D+00  0.394146D+00  0.349976D+01  0.140669D+01
               161           162           163           164           165 
      1   0.295671D+01 -0.794711D-01  0.548799D+02 -0.191620D+02  0.772537D+00
      2   0.281147D+01 -0.335259D+00 -0.263904D+02  0.867348D+01  0.776897D+00
      3  -0.576819D+01  0.414731D+00 -0.284895D+02  0.104886D+02 -0.154943D+01
      4   0.124597D+02  0.797749D+01 -0.220445D+02  0.175448D+02  0.432461D+00
      5   0.837286D+01  0.631071D+01 -0.635958D+01  0.253201D+01  0.854200D+01
      6   0.311184D+01  0.236258D+01  0.386380D+01 -0.329174D+01 -0.103786D+01
               166           167           168           169           170 
      1  -0.290914D+02  0.135912D+02  0.914990D+00  0.701957D+01 -0.848371D+00
      2   0.127734D+02 -0.216874D+01 -0.100153D+01 -0.250167D+01  0.754433D+00
      3   0.163180D+02 -0.114224D+02  0.865390D-01 -0.451790D+01  0.939379D-01
      4   0.210170D+02 -0.172859D+02  0.123839D+01 -0.141879D+01  0.325888D+01
      5   0.484074D+01 -0.397333D+00 -0.580911D+01  0.765596D+01 -0.243938D+01
      6  -0.337779D+01  0.322302D+01  0.239097D+01 -0.127940D+01  0.207549D+01
               171 
      1   0.350457D+01
      2  -0.339341D+01
      3  -0.111158D+00
      4  -0.231360D+01
      5  -0.170201D+01
      6  -0.625090D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.154786D+01      0.393428D+01      0.131233D+02
   y          0.136513D+01      0.346982D+01      0.115741D+02
   z          0.164283D+00      0.417565D+00      0.139285D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.807011D+02      0.119587D+02      0.133058D+02
   yx        -0.457665D-02     -0.678190D-03     -0.754588D-03
   yy         0.752912D+02      0.111570D+02      0.124138D+02
   zx        -0.185131D+01     -0.274336D+00     -0.305240D+00
   zy         0.127550D+01      0.189009D+00      0.210301D+00
   zz         0.661928D+02      0.980876D+01      0.109137D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791190D+02      0.117242D+02      0.130450D+02
   aniso      0.142953D+02      0.211834D+01      0.235697D+01
   xx         0.862463D+02      0.127804D+02      0.142201D+02
   yx         0.851847D-01      0.126231D-01      0.140451D-01
   yy         0.804535D+02      0.119220D+02      0.132650D+02
   zx        -0.199648D+01     -0.295847D+00     -0.329175D+00
   zy         0.142632D+01      0.211358D+00      0.235168D+00
   zz         0.706572D+02      0.104703D+02      0.116498D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.03710086         -1.09842908          3.53932826
     6          1.71661404         -1.29760070          0.98095161
     6          0.22880301          1.12916899          0.37949233
     6         -0.66596329          1.14697422         -2.39244329
     8         -2.98841012          2.08991917         -2.71344322
     6          0.05751645         -3.65876329          0.82536092
     7         -1.91474647          1.69486481          2.05255782
     8          0.62535381          0.43068347         -4.11637230
     1          1.53851496          2.72335584          0.50867969
     1          3.14909156         -1.43991957         -0.49640871
     1         -3.57907889          2.50532414         -0.99789162
     1         -2.71854940          0.09691596          2.73392447
     1         -1.40008244          2.77425213          3.54056080
     1         -0.85478408         -3.82277760         -1.01540975
     1          1.19735469         -5.35165741          1.11392006
     1         -1.40774856         -3.67449984          2.28451712
     1          4.27801417          0.54925867          3.62055300
     1          1.67381743         -0.94532920          5.08403066
     1          4.18668751         -2.77189868          3.89800763

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.207038D+01      0.526237D+01      0.175534D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.207038D+01      0.526237D+01      0.175534D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.740617D+02      0.109748D+02      0.122111D+02
   aniso      0.132828D+02      0.196831D+01      0.219004D+01
   xx         0.736711D+02      0.109169D+02      0.121467D+02
   yx        -0.590766D+01     -0.875425D+00     -0.974041D+00
   yy         0.703470D+02      0.104243D+02      0.115987D+02
   zx         0.277889D+01      0.411789D+00      0.458177D+00
   zy        -0.886233D+00     -0.131326D+00     -0.146120D+00
   zz         0.781671D+02      0.115832D+02      0.128880D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.791190D+02      0.117242D+02      0.130450D+02
   aniso      0.142953D+02      0.211834D+01      0.235697D+01
   xx         0.787004D+02      0.116622D+02      0.129759D+02
   yx        -0.631676D+01     -0.936048D+00     -0.104149D+01
   yy         0.750305D+02      0.111184D+02      0.123709D+02
   zx         0.295200D+01      0.437441D+00      0.486719D+00
   zy        -0.949047D+00     -0.140634D+00     -0.156477D+00
   zz         0.836260D+02      0.123921D+02      0.137881D+02

 ----------------------------------------------------------------------
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 NEVER LISTEN TO CRITICISM
 OR YOU'LL BE DOIN' EVERYBODY ELSE'S THING BUT BUT YOUR OWN.

                                               -- ANDY CAPP
 Job cpu time:       0 days  5 hours 57 minutes 32.8 seconds.
 Elapsed time:       0 days  0 hours 45 minutes 18.6 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:52:59 2021.
